Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B38GZD
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| Binder Name |
[(3R,4R,4Ar,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] 2-methylbutanoate
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| Synonyms |
CHEMBL1094680; BDBM50317502; 21-O-Angeloyl-22-O-(2-methylbutanoyl)-3beta,16alpha,28-trihydroxyolean-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 |
C40H64O7
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| Canonical SMILES |
CCC(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](C5(C)C)O)C)C)C)O)CO)(C)C)OC(=O)/C(=C\\C)/C
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| InChI |
1S/C40H64O7/c1-12-23(3)33(44)46-31-32(47-34(45)24(4)13-2)40(22-41)26(20-35(31,5)6)25-14-15-28-37(9)18-17-29(42)36(7,8)27(37)16-19-38(28,10)39(25,11)21-30(40)43/h12,14,24,26-32,41-43H,13,15-22H2,1-11H3/b23-12-/t24?,26-,27-,28+,29-,30+,31-,32-,37-,38+,39+,40-/m0/s1
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| InChIKey |
IEGXDYFBGSGVPZ-QZGKEAQMSA-N
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| PubChem Compound ID | ||||
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