Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BJ5T8Z
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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-(2-methylpropanoyloxy)-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 |
CHEMBL1094682; BDBM50317528; 21-O-Angeloyl-22-O-(2-methylbutanoyl)-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 |
C39H62O8
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| Canonical SMILES |
C/C=C(/C)\\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C(C)C
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| InChI |
1S/C39H62O8/c1-11-23(4)33(45)46-30-31(47-32(44)22(2)3)39(21-41)25(18-34(30,5)6)24-12-13-27-35(7)16-15-28(42)36(8,20-40)26(35)14-17-37(27,9)38(24,10)19-29(39)43/h11-12,22,25-31,40-43H,13-21H2,1-10H3/b23-11-/t25-,26+,27+,28-,29+,30-,31-,35-,36+,37+,38+,39-/m0/s1
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| InChIKey |
GEAQYDCYSOSTEE-MQPGJTPFSA-N
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| PubChem Compound ID | ||||
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