Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BK67XD
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| Binder Name |
Macroantoin F
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| Synonyms |
CHEMBL464371; 3,4-Di-O-caffeoylquinic acid methyl ester; 4,5-DCQA-Me; BDBM50455381
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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 |
C26H26O12
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| Canonical SMILES |
COC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
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| InChI |
1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1
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| InChIKey |
PKJBSZTYNDRXEQ-VOHNXBSUSA-N
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| PubChem Compound ID | ||||
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