Consensus flow list

Curcumin

fo-55b4be32d0e9fb31

Identity

Type
Neutral molecule
CAS
458-37-7
EC
207-280-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Curcumin

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

Alternative labels

51

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VFLDPWHFBUODDF-FCXRPNKRSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
Isomeric SMILES string chemrof:isomeric_smiles_string COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
IUPAC name chemrof:IUPAC_name Curcumin
Molecular formula chemrof:molecular_formula C21H20O6
Molecular mass chemrof:molecular_mass 368.385
Monoisotopic mass chemrof:monoisotopic_mass 368.125988, 368.12599
SMILES string chemrof:smiles_string COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O

Known URLs

75

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=458-37-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3962 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.203.418 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.839564.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8031077 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB11672 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB11672 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=32982 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=687842 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL140 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IT942ZTH98 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002269 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.391.353F enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.762B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10443 enrich_references.chebi_xrefs
knapsack knapsack:C00002731 enrich_references.chebi_xrefs
lincs.smallmolecule lincs.smallmolecule:LSM-43083 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130682 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38100 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-6602 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C401 enrich_references.pubchem_identifier_url
patent patent:DE859145 enrich_references.chebi_xrefs
patent patent:KR20130050834 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:CC9 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA151958596 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/PU7DU4ZZ438B enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/PUZGCNWWQTTV enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL140 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/969516 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=040146 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=169256 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10923784 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12083767 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12450549 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12826232 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14561543 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14634121 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15129424 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15659840 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15753945 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15809436 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15842781 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15879598 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16276182 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16292655 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16413584 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16712454 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16972983 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17182546 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18815282 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19038979 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19204190 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19234767 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20057137 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20645870 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21466422 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21642934 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22044005 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22051121 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22118895 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22122768 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22211691 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22318308 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22753715 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23386263 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23574161 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34299604 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34473340 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34572272 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34572491 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9698073 enrich_references.chebi_xrefs
reaxys reaxys:2306965 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2955 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q312266 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Curcumin enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
ca6618f2-a2eb-4f43-af5e-b735abb5c98e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a7aebb44-327d-417f-8330-6ea1b3b3f929 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e2752d2f-e6f5-4093-89be-e31c4c0ac8b7 Environmental → Air → Indoor EF 3.1 kg 2
c9e7e6cb-b9db-4b4b-b460-56483116cf0a Environmental → Air → Long-term EF 3.1 kg 0
98c90226-ef11-4a67-b84d-b99962c6d5ba Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bd2af63a-3892-48da-9f03-51acb44ab132 Environmental → Air → Unknown EF 3.1 kg 2
1fddd37e-5ad3-4aac-b65b-32ad8b6a5d0a Environmental → Ground → Agricultural EF 3.1 kg 2
9939a55e-9d91-426c-a812-b55674755256 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9516ea62-1b05-4bc5-b89a-179fe770f104 Environmental → Ground → Unknown EF 3.1 kg 2
e59859f3-2f2b-417a-aa9c-2372a0cb6d33 Environmental → Water → Long-term EF 3.1 kg 0
9f65eeb7-2b51-4fc8-a3af-46be2275bffb Environmental → Water → Ocean EF 3.1 kg 2
ee2cffa8-7dd4-4d26-a678-65e4303de462 Environmental → Water → Surface water EF 3.1 kg 2
52ee64e7-9212-449e-8117-d316a12b9251 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-55b4be32d0e9fb31",
  "prefLabel": [
    {
      "@value": "Curcumin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:458-37-7",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Biocurcumax",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C Yellow 15",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Natural Yellow 3",
      "@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_3962"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Colorant E 100",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Curcuma",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Curcuma yellow",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Curcumax",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Curcumin I",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Curcumin W",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Curcumine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cureit",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diferuloylmethane",
      "@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_3962"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Haidr",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Halad",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Haldar",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Halud",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:458-37-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=458-37-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Indian Saffron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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