3,5-Dicaffeoylquinic acid

cas: 2450-53-5 — see every product listed under this CAS number, including other names

3,5-Dicaffeoylquinic acid (CAS 2450-53-5) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 10mg, 50mg, 100mg, 250mg. Offered by: Biosynth.

brandBiosynth
catalog numberFD41813-25mg
cas2450-53-5
size25mg
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properties

categoryNatural Products
sub-category 1Phenylpropanoids
purityNo data
delivery time1-2 weeks
Structural formula: {0} (CAS {1})

3,5-di-O-caffeoyl quinic acid is a carboxylic ester that is the diester obtained by the condensation of the hydroxy groups at positions 3 and 5 of ()-quinic acid with the carboxy group of trans-caffeic acid. Isolated from Brazilian propolis and Suaeda glauca, it exhibits hepatoprotective and cytotoxic activities. It has a role as a metabolite, an antineoplastic agent and a hepatoprotective agent. It is a carboxylic ester and a cyclitol carboxylic acid. It is functionally related to a trans-caffeic acid and a (-)-quinic acid. It is a conjugate acid of a 3,5-di-O-caffeoyl quinate.

Source: ChEBI

Identity
Molecular formulaC25H24O12
Molecular weight516.4 g/mol
IUPAC nametrans-(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
InChIKeyKRZBCHWVBQOTNZ-RDJMKVHDSA-N
SMILESC1C(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

Computed by PubChem (NCBI)

Synonyms: Isochlorogenic acid A, 3,5-Dicaffeoylquinic acid, 3,5-Di-O-caffeoylquinic acid, 3,5-Dicaffeoyl-epi-quinic acid, (E,E)-3,5-Di-O-caffeoylquinic acid, Quinic acid 3,5-di-O-caffeate, 3,5-O-dicaffeoylquinic acid, (-)-3,5-Dicaffeoyl quinic acid, 3,5-dicaffeoylquinate, 3,5-Dicaffeoylquininic acid
Related forms of this compound
trans-(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid C25H24O12
trans-(3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid C25H24O12
Isomers (same molecular formula)
(1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid C25H24O12
(1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid C25H24O12
(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid C25H24O12
(1R,3R,4S,5R)-1,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid C25H24O12
[(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate C25H24O12
trans-(3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid C25H24O12

Also listed as

Isochlorogenic acid a, 95% Combi-blocks CAS 2450-53-5
Isochlorogenic Acid A, >95% (HPLC) TRC CAS 2450-53-5
Isochlorogenic acid A GLPBio CAS 2450-53-5
Isochlorogenic acid A/ 99.53% (existing batch purity) TargetMol CAS 2450-53-5
3,5-Dicaffeoylquinic acid, 98.00% Chemat CAS 2450-53-5
Isochlorogenic acid A 98% +(E) Ambeed CAS 2450-53-5
Isochlorogenic acid A, 98% +(E), 98% +(E) Chemat CAS 2450-53-5
Isochlorogenic acid A, 99.53% MedChemExpress CAS 2450-53-5
Isochlorogenic acid A (Standard) MedChemExpress CAS 2450-53-5
3,5-Dicaffeoylquinic acid, 10 mg Roth CAS 2450-53-5
3,5-Dicaffeoylquinic acid, 25 mg Roth CAS 2450-53-5
3,5-Dicaffeoylquinic acid, 50 mg Roth CAS 2450-53-5
3,5-Di-O-caffeoylquinic acid, 98+% Fluorochem CAS 2450-53-5