Cortisol
fo-e065b83bb7e5a506
Identity
- Type
- NeutralMolecule
- CAS
- 50-23-7
- EC
- 200-020-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
104- (11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
- (11β)-11,17,21-Trihydroxypregn-4-ene-3,20-dione
- 11,17,21-trihydroxypregn-4-ene-3,20-dione
- 11beta,17,21-trihydroxypregn-4-ene-3,20-dione
- 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione
- 11beta-hydrocortisone
- 11β,17,21-Trihydroxypregn-4-ene-3,20-dione
- 11β,17,21-Trihydroxyprogesterone
- 11β,17α,21-Trihydroxypregn-4-ene-3,20-dione
- 11β-Hydroxycortisone
- 17-hydroxycorticosterone
- 17α-Hydroxycorticosterone
- 29: PN: US20220380460 SEQID: 30 claimed sequence
- 4-pregnen-11beta,17alpha,21-triol-3,20-dione
- 4-Pregnene-11β,17α,21-triol-3,20-dione
- Acticort
- Aeroseb HC
- Ala-Cort
- Ala-scalp
- Alkindi
- Anflam
- Anti-inflammatory hormone
- CaldeCort Spray
- Cetacort
- Cobadex
- Cort-Dome
- Cortanal
- Cortef
- Cortenema
- Cortenerin
- Corticreme
- Cortifan
- Cortiment
- Cortispray
- Cortonema
- Cortril
- Dermacort
- Dermocortal
- Dermolate
- dermtex hc
- Dihydrocostisone
- Dioderm
- Domolene-HC
- DuoCort
- Efcorbin
- Efcortelan
- Eldecort
- Epiderm H
- Esiderm H
- Evacort
- Ficortril
- Genacort
- HC
- Heb-Cort
- Hidro-Colisona
- hidrocortisona
- Hycort
- Hycortol
- Hycortole
- Hydracort
- Hydrasson
- Hydro-Adreson
- Hydrocort
- Hydrocortal
- Hydrocorticosterone
- Hydrocortin
- Hydrocortisone
- hydrocortisonum
- Hydrocortisyl
- Hydrocortone
- Hydroskin
- Hytone
- Hytone lotion
- Incortin-H
- Infacort
- Kendall's compound F
- Lacticare HC
- Medicort
- MeSH ID: D006854
- Mildison
- Nucort
- Nutracort
- Optef
- Otosone-F
- Penecort
- Permicort
- Plenadren
- Polcort H
- Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11β)-
- Proctozone
- Reichstein's substance M
- Sanatison
- Scalpicin
- Scheroson F
- Signef
- Synacort
- Tarcortin
- Texacort
- Texacort lotion 25
- Timocort
- Topicort
- Traumaide
- u-cort
- Zenoxone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | JYGXADMDTFJGBT-VWUMJDOOSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO |
| IUPAC name chemrof:IUPAC_name | (11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione |
| Molecular formula chemrof:molecular_formula | C21H30O5 |
| Molecular mass chemrof:molecular_mass | 362.466 |
| Monoisotopic mass chemrof:monoisotopic_mass | 362.20932, 362.209324 |
| SMILES string chemrof:smiles_string | CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO |
Known URLs
38Where 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 |
|---|---|---|
| beilstein | beilstein:1354819 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=50-23-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17650 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.019 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7020714 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00741 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00741 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1388 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1388 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10483 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL389621 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WI4X0X7BPJ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000063 | enrich_references.pubchem_identifier_url |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2937.21.00.20 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.908I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00735 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00088 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00735 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00088 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5980 | enrich_references.chebi_xrefs |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMST02030001 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMST02030001 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=35388 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C2290 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C555 | enrich_references.pubchem_identifier_url |
| patent | patent:US2602769 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:HCY | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA449905 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/62WUFJWYCZNJ | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL389621 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5754 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=196432 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10438974 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2268561 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/5492 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q190875 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Cortisol | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Hydrocortisone | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| efa43def-7f88-4a85-b8e6-b5dba0325ecb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 4548f8ff-0e20-41e2-b916-44c7763058d1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| f88bd8f0-d9e4-4f10-a35f-fe392398141c | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| d0a2201d-3eac-4163-982d-b549b91e3f06 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 290b88ea-b43d-4ff6-834d-1d818f0e5f31 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 4306a781-2fa1-46a7-9829-b1307ff8ebcb | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| c3774ff0-4193-4aef-9be7-24fca245fc68 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 90755a74-18d3-4fd9-a124-3420db9ee894 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| fc8fdb08-1690-438e-a41e-8448209c682b | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 53e120d9-2919-4b25-b0c6-0dbe52e027f8 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| bdb48acc-7cf4-4bd2-aeff-2bebe48a7c62 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 3e3c9bc8-0e28-4b73-b2b1-3468422ec38c | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| 892a3a15-3190-43af-9faf-72c2524b7832 | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-e065b83bb7e5a506",
"prefLabel": [
{
"@value": "Cortisol",
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{
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},
{
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{
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{
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{
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{
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{
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{
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},
{
"@value": "17-hydroxycorticosterone",
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{
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{
"@value": "29: PN: US20220380460 SEQID: 30 claimed sequence",
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}
},
{
"@value": "4-pregnen-11beta,17alpha,21-triol-3,20-dione",
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{
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}
},
{
"@value": "Acticort",
"@language": "en",
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},
{
"@value": "Aeroseb HC",
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}
},
{
"@value": "Ala-Cort",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ala-scalp",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Alkindi",
"@language": "en",
"@lang": "en",
"provenance": {
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"https://commonchemistry.cas.org/detail?cas_rn=50-23-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Anflam",
"@language": "en",
"@lang": "en",
"provenance": {
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-23-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Anti-inflammatory hormone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
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"https://commonchemistry.cas.org/detail?cas_rn=50-23-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "CaldeCort Spray",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-23-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-23-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cetacort",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-23-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-23-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cobadex",
"@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=50-23-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cort-Dome",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-23-7",
"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cortanal",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"https://commonchemistry.cas.org/detail?cas_rn=50-23-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cortef",
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