Consensus flow list

Prednisone

fo-4c7763714a96a65b

Identity

Type
Neutral molecule
CAS
53-03-2
EC
200-160-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Prednisone

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

85

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XOFYZVNMUHMLCC-ZPOLXVRWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
IUPAC name chemrof:IUPAC_name 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione
Molecular formula chemrof:molecular_formula C21H26O5
Molecular mass chemrof:molecular_mass 358.434
Monoisotopic mass chemrof:monoisotopic_mass 358.17802, 358.178024
SMILES string chemrof:smiles_string CC12C=CC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO

Known URLs

37

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=53-03-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8382 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.147 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021185 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00635 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00635 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2253 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2253 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10023 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL635 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VB0R961HZT enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014773 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2937.21.00.30 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.137H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07370 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07370 enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMST02030180 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=35459 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C770 enrich_references.pubchem_identifier_url
patent patent:US2579479 enrich_references.chebi_xrefs
patent patent:US2837464 enrich_references.chebi_xrefs
patent patent:US2897216 enrich_references.chebi_xrefs
patent patent:US3134718 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA451100 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/62BR9C5ANC22 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL635 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5865 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=184445 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10438974 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15859934 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18971570 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23093541 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23395281 enrich_references.chebi_xrefs
reaxys reaxys:2065301 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/8640 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q424972 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Prednisone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
cbc09257-38ca-474e-b033-fa46feab55b5 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
87150eda-96ef-481a-ba28-17598aaafa53 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
0b82c754-e792-4b6f-b5bd-5e391568fb6a Environmental → Air → Indoor EF 3.1 kg 0
cbde550d-14e1-48a2-a627-7fc52134d65a Environmental → Air → Long-term EF 3.1 kg 0
be79e40c-de2b-4edc-bbab-0b58ff327eba Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
67cbbe37-bc13-4040-8628-0906b0d2fe09 Environmental → Air → Unknown EF 3.1 kg 0
31e35f6d-7c2f-4b78-bfd7-b9f067e7f11d Environmental → Ground → Agricultural EF 3.1 kg 0
aabb6c5a-69a5-400a-86a8-b8db073a60c4 Environmental → Ground → Non-agricultural EF 3.1 kg 0
e6223e0e-c554-4b01-a78b-8f42e4932e8b Environmental → Ground → Unknown EF 3.1 kg 0
1f569321-363e-4937-8af4-f12286693cfb Environmental → Water → Long-term EF 3.1 kg 0
545048a6-4ae2-4b3f-a63b-c59e47d9f06b Environmental → Water → Ocean EF 3.1 kg 0
7749f01c-3fca-4f3c-a111-f8c0099d4a80 Environmental → Water → Surface water EF 3.1 kg 0
5eada38e-039a-457e-b931-6251d6acb6b4 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-4c7763714a96a65b",
  "prefLabel": [
    {
      "@value": "Prednisone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Dehydrocortisone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,4-Pregnadiene-17alpha,21-diol-3,11,20-trione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,4-Pregnadiene-17α,21-diol-3,11,20-trione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Dehydrocortisone",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "17,21-Dihydroxypregn-1,4-diene-3,11,20-trione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "17,21-Dihydroxypregna-1,4-diene-3,11,20-trione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "17α,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "17α,21-Dihydroxypregn-1,4-dien-3,11,20-trione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adasone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ancortone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Apo-Prednisone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bicortone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cartancyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Colisone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cordrol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cortan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cortidelt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dacorten",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dacortin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decortancyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decortisyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dehydrocortisone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_8382"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dekortin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Delcortin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dellacort",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dellacort A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Delta E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Delta-Cortelan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Delta-Dome",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deltacortene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deltacortisone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deltacortone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:53-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=53-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deltasone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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