GAMOLENIC ACID

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Synonyms
Status
Molecule Category Free-form
ATC D11AX02
UNII 78YC2MAX4O
EPA CompTox DTXSID7046170

Structure

InChI Key VZCCETWTMQHEPK-QNEBEIHSSA-N
Smiles CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H30O2
Molecular Weight 278.44
AlogP 5.66
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 41-78
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
- 270-270 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 2
- 750 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 270-750 - - 41-78

Cross References

Resources Reference
ChEBI 28661
ChEMBL CHEMBL464982
DrugBank DB13854
DrugCentral 1276
FDA SRS 78YC2MAX4O
Human Metabolome Database HMDB0003073
Guide to Pharmacology 4710
KEGG C06426
SureChEMBL SCHEMBL19418
ZINC ZINC000003777423
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