Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B18NRC
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| Binder Name |
(8S,9R,10R,13R,14S,16R,17R)-17-[(2S)-2,6-Dihydroxy-6-methyl-3-oxoheptan-2-yl]-16-hydroxy-4,4,9,13,14-pentamethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
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| Synonyms |
Bryoamaride; CHEMBL449483; BDBM50370694; ZINC49833277
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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 |
C36H54O12
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| Canonical SMILES |
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@@](C)(C(=O)CCC(C)(C)O)O)O
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| InChI |
1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36-/m1/s1
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| InChIKey |
QCAZYVAEXLGYLV-FQBWLROLSA-N
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| PubChem Compound ID | ||||
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