Isochlorogenic acid B

Category	Virus Protease
CAS	14534-61-3
Description	Isochlorogenic acid B is a reference substance of a common phytochemical found in Echinacea (Echinacea sp.). It has antiviral activity and shows activity against respiratory syncyntial virus (RSV).

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Product Information

Synonyms	(1S,3R,4R,5R)-3,4-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid;3,4-Dicaffeoylquinic acid;(1S)-1α,5α-Dihydroxy-3β,4α-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β-cyclohexanecarboxylic acid;(1S)-4β,5α
Molecular Weight	516.45
Molecular Formula	C25H24O12
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
InChI	1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
InChIKey	UFCLZKMFXSILNL-PSEXTPKNSA-N
Boiling Point	810.8±65.0 °C \| Condition: Press: 760 Torr
Purity	>98%
Density	1+-.0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	White powder
Shelf Life	2 years
Storage	Store in a cool and dry place and at 0 - 4°C for short term (days to weeks) or -67°C for long term (months to years).
Exact Mass	530.14200
In Vitro	3,4-Dicaffeoylquinic acid acts as a greater primary antioxidant than its methanol extract, by having higher ferric reducing activity (EC50 2.18 μg/ml), β-carotene bleaching activity (EC50 23.85 μg/ml) and DPPH scavenging activity (EC50 68.91 μg/ml). It exhibits a remarkable dose-dependent inhibitory effect on NCI-H23 (human lung adenocarcinoma) cell lines (EC50 3.26 μg/ml) and is found to be apoptotic in nature based on a clear indication of DNA fragmentation. 3,4-Dicaffeoylquinic acid also displays a concentration-dependent α-glucosidase inhibition with EC50 241.80 μg/ml.
PSA	200.28000
Target	Glucosidase; Influenza Virus; Apoptosis; Endogenous Metabolite