Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BDW48T
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| Binder Name |
Geraniin
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| Synonyms |
Geraniiin; CHEMBL506069; C10230; BDBM50242278; AKOS015965424; ZINC169289506; AC-8425; Q-100702; Q5549854; [undecahydroxy(pentaoxo)[?]yl] 3,4,5-trihydroxybenzoate; N-(4-CARBETHOXYPHENYL)-N-4-(6-BENZOTHIAZOLE)AMINE
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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 |
C41H28O27
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| Canonical SMILES |
C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)[C@@](C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
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| InChI |
1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1
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| InChIKey |
JQQBXPCJFAKSPG-SVYIMCMUSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:5328
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