Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BL1HC7
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| Binder Name |
Isochlorogenic acid A
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| Synonyms |
3,5-Dicaffeoylquinic acid; 3,5-DCQA; 3,5-Di-O-caffeoylquinic acid; 3,5-di-O-caffeoyl quinic acid; Quinic acid 3,5-di-O-caffeate; (-)-3,5-Dicaffeoyl quinic acid; CHEMBL249447; 3,5-Dicaffeoyl-epi-quinic acid; CHEMBL4289566; Isochlorogenic-acid-A; 3,5-dicaffeoyl quinic acid; Methylhydrogenphthalate; 3,5-dicaffeoylquinate; CJ 4-16-4; 3,5-Dicaffeoylquinic acids; 3,5-Dicaffeoylquininic acid; UNII-ND94C5E75K; 3,5-DICQA; 3,5-Di-o-caffeoylquinic acid/Isochlorogenic acid A; 3,5-di-O-Aaffeoylquinic acid; ND94C5E75K; Rel-3,5-Dicaffeoylquinic Acid; CHEMBL4466054; SCHEMBL13567304; SCHEMBL20339739; ACon1_002290; 3,5-DCQ; DTXSID00424282; ZINC3919243; BDBM50362839; BDBM50466107; MFCD00951290; s9282; AKOS015903388; AKOS032948323; ZINC100037586; ZINC100051019; ACN-035249; CCG-269821; MCULE-8096920379; NCGC00169984-01; AB0020622; V1570; 3,5-Bis-(3,4-dihydroxycinnamoyl)quinic acid; A12072; 450I535; Q-100315; 3,5-Di-caffeoylquinic acid, >=95% (LC/MS-ELSD); Q27134233
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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 |
C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O
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| InChI |
1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1
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| InChIKey |
KRZBCHWVBQOTNZ-RDJMKVHDSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:65751
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