Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BVCK81
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| Binder Name |
[(2S,3R,4R,5S,6R)-6-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)phenoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
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| Synonyms |
CHEMBL454228; BDBM50269380; apigenin-4''-O-(2'''',6''''-di-O-p-coumaroyl)-beta-D-glucopyranoside
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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 |
C39H32O14
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| Canonical SMILES |
C1=CC(=CC=C1/C=C/C(=O)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)OC3=CC=C(C=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)OC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O
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| InChI |
1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-13-7-23(8-14-27)30-19-29(44)35-28(43)17-26(42)18-31(35)51-30/h1-19,32,36-43,47-48H,20H2/b15-5+,16-6+/t32-,36-,37+,38-,39-/m0/s1
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| InChIKey |
CGRSWPSYXURRMV-LJFOHRRRSA-N
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| PubChem Compound ID | ||||
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