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1,5-O-TRANS-DICAFFEOYLQUINIC ACID
FEATURES
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NAMES
  • 1,5-O-trans-dicaffeoylquinic acid
SMILES
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H](O)[C@H]1O
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
MOLECULAR FORMULA
C25H24O12
CROSS REFERENCES
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1,5-O-TRANS-DICAFFEOYLQUINIC ACID

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 516.13
AlogP 1.03
HBond donors 7
HBond acceptors 12
Atoms 61
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Yes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 1,5-O-TRANS-DICAFFEOYLQUINIC ACID.