Drug General Information
Drug ID
D0J5RQ
Former ID
DNC010346
Drug Name
3-acetyl-11-keto-ursolic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530656]
Structure
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2D MOL

3D MOL

Formula
C32H48O5
Canonical SMILES
CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)<br />C)C2C1C)C)C(=O)O
InChI
1S/C32H48O5/c1-18-9-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)17-22(34)26-29(6)12-11-24(37-20(3)33)28(4,5)23(29)10-13-31(26,30)8/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23+,24+,25+,26-,29+,30-,31-,32+/m1/s1
InChIKey
XDHCWTUZCOFKRH-CIKBGXLUSA-N
PubChem Compound ID
Target and Pathway
Target(s) Corticosteroid 11-beta-dehydrogenase, isozyme 1 Target Info Inhibitor [530656]
KEGG Pathway Steroid hormone biosynthesis
Metabolism of xenobiotics by cytochrome P450
Metabolic pathways
Chemical carcinogenesis
NetPath Pathway IL1 Signaling Pathway
FSH Signaling Pathway
PathWhiz Pathway Steroidogenesis
Reactome Glucocorticoid biosynthesis
WikiPathways Prostaglandin Synthesis and Regulation
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid Metabolism
References
Ref 530656Bioorg Med Chem. 2010 Feb 15;18(4):1507-15. Epub 2010 Jan 11.11beta-Hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approaches.
Ref 530656Bioorg Med Chem. 2010 Feb 15;18(4):1507-15. Epub 2010 Jan 11.11beta-Hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approaches.

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