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Phytochemical Database for Neurological Disorders
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Phytochemical Name : 3,4-Dicaffeoylquinic acid
PCNDIDOT0709
Pubchem CID : 5281780
Molecular formula: C25H24O12

Molecular weight : 516.400

Canonical SMILES : C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

Synonymes : 3,4-Dicaffeoylquinic acid|Isochlorogenic acid b|14534-61-3|4,5-Dicqa|4,5-Dicaffeoylquinic acid|(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid|3,4-Di-O-Caffeoylquinic acid|45777W94HK|CHEBI:5995|CHEMBL249448|UNII-45777W94HK|89886-31-7|Cyclohexanecarboxylic acid, 3,4-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-|Cyclohexanecarboxylic acid, 3,4-bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,5-dihydroxy-, (1S,3R,4R,5R)-|3,4-dicaffeoyl quinic acid|102851-07-0|IsochlorogenicacidB|Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-, (1R,3S,4S,5S)-rel-|Cyclohexanecarboxylic acid, 3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-, (1S,3R,4R,5R)-|Isochlorogenic-acid-B|3,4-dicaffeoylquinate|Rel-3,4-Dicaffeoylquinic Acid|4,5-Di-O-caffeoylquinic acid?|Quinic acid 3,4-di-O-caffeate|SCHEMBL12246115|ACon1_002212|GTPL12549|HY-N0057|BDBM50362838|MFCD22375481|s9274|AKOS026673963|CCG-269822|CS-3769|NCGC00179718-01|AS-74985|LS-185309|Q-100168|Q27106970|3,4-Di-O-caffeoylquinic acid, >=90% (LC/MS-ELSD)|(1S,3R,4R,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid|(1S,3R,4R,5R)-3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid|(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexanecarboxylic acid

Structure
3D structure 2D structure
5281780
Predicted properties (NCBI Pubchem)

Physicochemical Properties