Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0SJ2Q
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| Former ID |
DNC006677
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| Drug Name |
OLEANOLIC_ACID
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| Synonyms |
OLEANOLIC ACID; Oleanic acid; 508-02-1; Caryophyllin; Astrantiagenin C; Giganteumgenin C; Virgaureagenin B; 3beta-Hydroxyolean-12-en-28-oic acid; UNII-6SMK8R7TGJ; CCRIS 6493; (3-beta)-3-Hydroxyolean-12-en-28-oic acid; EINECS 208-081-6; NSC114945; 6SMK8R7TGJ; NSC-114945; 3-beta-Hydroxyolean-12-en-28-oic acid; CHEBI:37659; Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-; oleonolic acid; MFCD00064914
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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 |
C30H48O3
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| Canonical SMILES |
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
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| InChI |
1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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| InChIKey |
MIJYXULNPSFWEK-GTOFXWBISA-N
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| CAS Number |
CAS 508-02-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
411432, 606099, 8140048, 8157593, 12013877, 14931343, 16612754, 22396103, 24898021, 26725302, 29204449, 29228987, 48483988, 49999299, 53253218, 53788193, 57326261, 57654491, 85297334, 92298723, 92465252, 92711005, 93576683, 96023600, 103324264, 104082596, 104323458, 118048745, 124558746, 124800067, 125312644, 126524541, 126631301, 126657657, 126664253, 128600272, 134343882, 134976838, 136353287, 137006891, 137186946, 142252735, 152090835, 162223020, 163614423, 164786710, 175267875, 175607979, 178100342, 179150511
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| ChEBI ID |
CHEBI:37659
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3306). | |||
| REF 2 | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystal... J Med Chem. 2008 Jun 26;51(12):3540-54. | |||
| REF 3 | DNA polymerase beta inhibitors from Baeckea gunniana. J Nat Prod. 1999 Dec;62(12):1624-6. | |||
| REF 4 | Chemical Constituents of the Roots of Euphorbia micractina. J Nat Prod. 2009 Sep;72(9):1620-6. | |||
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