Drug General Information
Drug ID
D0A8ND
Former ID
DNC000117
Drug Name
9-trans-retinoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [536030]
Structure
Download
2D MOL

3D MOL

Formula
C20H28O2
Canonical SMILES
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
InChI
1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
InChIKey
SHGAZHPCJJPHSC-YCNIQYBTSA-N
CAS Number
CAS 302-79-4
PubChem Compound ID
PubChem Substance ID
ChEBI ID
ChEBI:15367
Target and Pathway
Target(s) Retinoic acid receptor gamma Target Info Agonist [536030]
Reactome Nuclear Receptor transcription pathway
WikiPathways Vitamin A and Carotenoid Metabolism
Nuclear Receptors in Lipid Metabolism and Toxicity
Mesodermal Commitment Pathway
Endoderm Differentiation
Nuclear Receptors
References
Ref 536030Targacept active conformation search: a new method for predicting the conformation of a ligand bound to its protein target. J Med Chem. 2004 Dec 30;47(27):6831-9.
Ref 536030Targacept active conformation search: a new method for predicting the conformation of a ligand bound to its protein target. J Med Chem. 2004 Dec 30;47(27):6831-9.

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