Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BQ8T2D
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| Binder Name |
[(3R,4R,4Ar,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-5,10-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate
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| Synonyms |
CHEMBL1094673; BDBM50317509; 21,22-O-Diangeloy-3beta,16alpha,24,28-tetrahydroxyolean-12-ene
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C40H62O8
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| Canonical SMILES |
C/C=C(/C)\\C(=O)O[C@H]1[C@@H](C(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)C)O)CO)(C)C)OC(=O)/C(=C\\C)/C
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| InChI |
1S/C40H62O8/c1-11-23(3)33(45)47-31-32(48-34(46)24(4)12-2)40(22-42)26(19-35(31,5)6)25-13-14-28-36(7)17-16-29(43)37(8,21-41)27(36)15-18-38(28,9)39(25,10)20-30(40)44/h11-13,26-32,41-44H,14-22H2,1-10H3/b23-11-,24-12-/t26-,27+,28+,29-,30+,31-,32-,36-,37+,38+,39+,40-/m0/s1
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| InChIKey |
NMIJLQVOAVXFNW-LSCWCALVSA-N
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| PubChem Compound ID | ||||
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