CAS Number1182-34-9
Synonyms1,3-DICAFFEOYLQUINIC ACID; 1.3-O-Dicaffeoylquinic acid; Indena Cinaran; cin; plemocil; cinarcaf; CINARINE; cynarine; listrocol; cyn; CINARAN; EINECS 214-655-7; (1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl (2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate]
Molecular FormulaC25H24O12
Molecular Weight516.46
Purity98.00%
Density1.6±0.1 g/cm3
Boiling Point819.9±65.0 °C at 760 mmHg
Melting Point225-227ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1182-34-9 |
| Catalog No. | 2A-9026376 |
| Chinese Name | 洋蓟素 |
| Synonyms | 1,3-DICAFFEOYLQUINIC ACID; 1.3-O-Dicaffeoylquinic acid; Indena Cinaran; cin; plemocil; cinarcaf; CINARINE; cynarine; listrocol; cyn; CINARAN; EINECS 214-655-7; (1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl (2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate] |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.46 |
| Purity | 98.00 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 819.9±65.0 °C at 760 mmHg |
| Melting Point | 225-227ºC |
| Application | 1,4-Dicaffeoylquinic acid (1,4-DCQA) is a phenylpropanoid substance obtained from Xanthium spp., which can inhibit the production of TNF-α induced by LPS and has anti-inflammatory effects. |
| HTC | 2932999099 |
| PubChem ID | 47285675 |
| MDL Number | C25H24O12 |
| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC1O |
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1 |
| InChI Key | IYXQRCXQQWUFQV-ZYCLUUQBSA-N |
| MSDS | msds/26376_1_1182_34_9.pdf |
| Use of | 1,4-Dicaffeoylquinic acid (1,4-DCQA) is a phenylpropanoid from Xanthii fructus, inhibits LPS-stimulated TNF-α production[1]. Properties Name cynarin Synonym More Synonyms Cynarin Biological Activity Description 1,4-Dicaffeoylquinic acid (1,4-DCQA) is a phenylpropanoid from Xanthii fructus, inhibits LPS-stimulated TNF-α production[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Inflammation/Immunology References [1]. Yoo SR, et al. Phytochemical Analysis on Quantification and the Inhibitory Effects on Inflammatory Responses from the Fruit of Xanthii fructus. Pharmacogn Mag. 2015 Oct;11(Suppl 4):S585-91. Chemical & Physical Properties Molecular Formula C25H24O12 Exact Mass 516.126770 PSA 211.28000 Index of Refraction 1.719 InChIKey IYXQRCXQQWUFQV-ZYCLUUQBSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Cinnamic acid, 3,4-dihydroxy-, 1-carboxy-3,5-dihydroxy-1,4-cyclohexylene ester, hydrate CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C25-H24-O12.H2-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : L6TJ AQ BOV1U1R CQ DQ& CQ EVQ EOV1U1R CQ DQ &QH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 117,63,1958 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 117,63,1958 Safety Information Hazard Codes Xn;N RIDADR UN 3077 HS Code 2932999099 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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