Isochlorogenic acid A 异绿原酸A(3,5-二咖啡酰奎宁酸)
CAS 2450-53-5 MFCD00951290
化学结构图
SMILES: O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@H]1O
化学属性
| Mol. Formula | C25 H24 O12 |
|---|---|
| Mol. Weight | 516.45 |
| Density | 1.02 |
| Melting Point | >175°C (dec.) |
| Boiling Point | |
| Flash Point | - |
别名和识别编码
| Chemical Name | Isochlorogenic Acid A |
|---|---|
| Synonym | (3R,5R)-3,5-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl))-1,4-dihydroxy-cyclohexanecarboxylic acid 3,5-DCQA 3,5-Dicaffeoylquinic acid 3,5-H56:H75dicaffeoyl-epi-quinic acid 3,5-O-dicaffeoylquinic acid 3,5-di-O-caffeoylquinic acid 3,5-dicaffeoylquinic acid CJ 4-16-4 CJ-4-16-4 Isochlorogenic Acid A {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| CAS Number | 2450-53-5 |
| Chemical Name Translation | 异绿原酸A(3,5-二咖啡酰奎宁酸) |
| MDL Number | - |
| PubChem Substance ID | 6474310 |
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1 |
| Canonical SMILES | O[C@@H]1[C@@H](C[C@](O)(C[C@H]1OC(=O)\C=C\c2ccc(O)c(O)c2)C(=O)O)OC(=O)\C=C\c3ccc(O)c(O)c3 |
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分类
- {SNA} Phenols, Phytochemicals by Chemical Classification, 细胞生物学, 营养研究
- {SNA} Nutrition Research, Phenols, Phytochemicals by Chemical Classification, 细胞生物学
相关文献及参考
- [2]. Malarz J, et al. Long-term cultured hairy roots of chicory-a rich source of hydroxycinnamates and 8-deoxylactucin glucoside. Appl Biochem Biotechnol. 2013 Dec;171(7):1589-601.
- [3]. Wan C, et al. Isolation and identification of phenolic compounds from Gynura divaricata leaves. Pharmacogn Mag. 2011 Apr;7(26):101-8.
- [1]. Zhang YH, et al. 3,5-Dicaffeoylquinic acid isolated from Artemisia argyi and its ester derivatives exert anti-leucyl-tRNA synthetase of Giardia lamblia (GlLeuRS) and potential anti-giardial effects. Fitoterapia. 2012 Oct;83(7):1281-5.
- [1]. Zhang YH, et al. 3,5-Dicaffeoylquinic acid isolated from Artemisia argyi and its ester derivatives exert anti-leucyl-tRNA synthetase of Giardia lamblia (GlLeuRS) and potential anti-giardial effects. Fitoterapia. 2012 Oct;83(7):1281-5.
- [2]. Malarz J, et al. Long-term cultured hairy roots of chicory-a rich source of hydroxycinnamates and 8-deoxylactucin glucoside. Appl Biochem Biotechnol. 20
安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
