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Chemical structure of Chicoric acid

GC64993

Chicoric acid

Also known as (2R,3R)-2,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid

Chicoric acid (Cichoric acid), an orally active dicaffeyltartaric acid, induces reactive oxygen species (ROS) generation

ChemicalCAS6537-80-0MW474.37FormulaC22H18O12
CAS number
6537-80-0
Molecular weight
474.37
Formula
C22H18O12
Solubility
Water ： 100 mg/mL (210·81 mM; Need ultrasonic)|DMSO ： 1 mg/mL (2·11 mM; Need ultrasonic)
InChIKey
YDDGKXBLOXEEMN-WOJBJXKFSA-N
Catalogue number
GC64993
Brand
GLPBIO
Computed properties PubChem CID 65018 · XLogP 2 · TPSA 208 Ų · H-bond donors 6
XLogP
2
TPSA
208 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
11
Heavy atoms
34

SMILES C1=CC(=C(C=C1C=CC(=O)O[C@H]([C@H](C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O

Computed descriptors from PubChem (CID 65018), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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