Drug General Information
Drug ID
D09VYW
Former ID
DNC010340
Drug Name
11-keto-beta-boswellicacid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530656]
Structure
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2D MOL

3D MOL

Formula
C30H46O4
Canonical SMILES
CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C<br />)C2C1C)C)C
InChI
1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
InChIKey
YIMHGPSYDOGBPI-YZCVQEKWSA-N
PubChem Compound ID
Target and Pathway
Target(s) Corticosteroid 11-beta-dehydrogenase, isozyme 1 Target Info Inhibitor [530656]
Corticosteroid 11-beta-dehydrogenase, isozyme 2 Target Info Inhibitor [530656]
KEGG Pathway Steroid hormone biosynthesis
Metabolism of xenobiotics by cytochrome P450
Metabolic pathways
Chemical carcinogenesishsa00140:Steroid hormone biosynthesis
Aldosterone-regulated sodium reabsorption
NetPath Pathway IL1 Signaling Pathway
FSH Signaling PathwayNetPath_4:EGFR1 Signaling Pathway
PathWhiz Pathway SteroidogenesisPW000141:Steroidogenesis
Reactome Glucocorticoid biosynthesisR-HSA-194002:Glucocorticoid biosynthesis
WikiPathways Prostaglandin Synthesis and Regulation
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid MetabolismWP98:Prostaglandin Synthesis and Regulation
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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