Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BW0IP2
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| Binder Name |
4,5-Di-O-caffeoylquinic acid
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| Synonyms |
Isochlorogenic acid C; 4,5-Dicaffeoylquinic acid; UNII-E57A0DKE0B; E57A0DKE0B; 3,4-DICQA; 4,5-DCQA; CHEMBL177126; MFCD10566623; NSC-649410; 4,5-dicaffeoyl quinic acid; Isochlorogenic acid C(4,5); isochlorogenic-acid-c; Isochlorogenic acid I; 3,4-di-O-caffeoylquinicacid; Isochlorogenic acid C(4,5'); 3,4-DCQA; SCHEMBL15396049; ACon1_000313; HY-N0058; 9573AF; BDBM50056908; s9034; ZINC13556374; AKOS025402182; AC-6052; CCG-269823; CS-3771; MCULE-3650380761; NCGC00180681-01; AS-74958; 4,5-Bis(3,4-dihydroxycinnamoyl)quinic acid; V1561; 378I720; Q-100399; Q27276885; 4,5-Di-O-caffeoylquinic acid, >=85% (LC/MS-ELSD)
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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 |
C25H24O12
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| Canonical SMILES |
C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
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| InChI |
1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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| InChIKey |
UFCLZKMFXSILNL-RVXRWRFUSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:141136
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