Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0J5RQ
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| Former ID |
DNC010346
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| Drug Name |
3-acetyl-11-keto-ursolic acid
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| Synonyms |
11-OXOURSOLIC ACID ACETATE; CHEMBL601891; 3-acetyl-11-keto-ursolic acid; NSC33403; AC1L5RI4; 3-O-acetyl-11-oxoursolic acid; MolPort-044-649-591; NSC-33403; BDBM50307109; AKOS016036264; 35959-01-4; (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C32H48O5
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| Canonical SMILES |
CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O
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| 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
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| InChIKey |
XDHCWTUZCOFKRH-CIKBGXLUSA-N
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| CAS Number |
CAS 35959-01-4
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | 11beta-Hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational a... Bioorg Med Chem. 2010 Feb 15;18(4):1507-15. | |||
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