Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B3GO9J
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| Binder Name |
[(3R,4R,4Ar,5S,6R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,6,10-trihydroxy-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 |
CHEMBL1094678; BDBM50317504; 21-O-Angeloyl-22-O-(2-methylbutanoyl)-3beta,15alpha,16alpha,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 |
C40H64O8
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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@@H]([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)O)CO)(C)C)OC(=O)/C(=C\\C)/C
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| InChI |
1S/C40H64O8/c1-12-22(3)33(45)47-31-32(48-34(46)23(4)13-2)40(21-41)25(20-35(31,5)6)24-14-15-27-37(9)18-17-28(42)36(7,8)26(37)16-19-38(27,10)39(24,11)29(43)30(40)44/h12,14,23,25-32,41-44H,13,15-21H2,1-11H3/b22-12-/t23?,25-,26-,27+,28-,29-,30+,31-,32-,37-,38+,39-,40-/m0/s1
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| InChIKey |
UXYAWAYYYLPDJL-DSKCCZIJSA-N
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| PubChem Compound ID | ||||
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