CYNARIN
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CYNARIN
structure -
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CAS No:
1182-34-9
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Formula:
C25H24O12
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Chemical Name:
CYNARIN
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Synonyms:
(1S,2S,3S,4R)-1,4-bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-2,3-dihydroxy-1-cyclohexanecarboxylic acid;CYNARIN(ARTICHOKE);CYNARIN(ECHINACEA);CINARAN;CINARINE;2-allyl-1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo]oxy]-3,5-dihydroxycyclohexanecarboxylic acid;Indena Cinaran;1,4-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
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CAS No:
Description
1,4-Dicaffeoylquinic acid (1,4-DCQA) is a phenylpropanoid from Xanthii fructus, inhibits LPS-stimulated TNF-α production[1].
1,4-Di-O-caffeoylquinic acid is a quinic acid.
Characteristics
211.28000
1.99
1.64
225-227 ºC
843.4±65.0 °C(Predicted)
278.1±27.8 °C
1.719
1.92E-28mmHg at 25°C
mouse,LD50,intraperitoneal,1900mg/kg (1900mg/kg),Archives Internationales de Pharmacodynamie et de Therapie. Vol. 117, Pg. 63, 1958.
2.74±0.50(Predicted)
2-8°C
Safety Information
UN 3077
R22;R43;R50/53
S36/37-S60-S61
Xn;N
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
CYNARIN Use and Manufacturing
Artichoke (1,3-biscaffeoylquinic acid), also known as astilin, artichokeric acid. Exist in Asteraceae artichoke (Cynara scolymus L.), forest Senecio nemorensis (Senecio nemorensis L.) whole grass, can also be chemically synthesized. It has the effect of choleretic, liver protection and cholesterol lowering. Clinically used to treat various diseases caused by insufficient liver function. Can also be used as a choleretic drug.
1,4-O-Dicaffeoylquinic Acid (CAS# 1182-34-9) is a phenolic antioxidant extracted from Scabiosa arenaria.
Computed Properties
Molecular Weight:516.4
XLogP3:1.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:516.12677620
Monoisotopic Mass:516.12677620
Topological Polar Surface Area:211
Heavy Atom Count:37
Complexity:873
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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