1-咖啡酰奎宁酸
1-Caffeoylquinic acid
CAS: 1241-87-8
Molecular Formula: C16H18O9
1-咖啡酰奎宁酸 - Names and Identifiers
| Name | 1-Caffeoylquinic acid |
| Synonyms | 1-Caffeoylquinicaci 1-Kaffeylchinasaeure 1-Caffeoylquinic acid 1-O-caffeoylquinic acid 3,4-Dihydroxycinnamic acid (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester Cinnamic acid, 3,4-dihydroxy-, (-)-1-carboxy-3,4,5-trihydroxycyclohexyl ester 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-,(1a,3R,4a,5R) 1-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexanecarboxylic acid Cyclohexanecarboxylic acid, 1-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4,5-trihydroxy-, (1α,3R,4α,5R)- |
| CAS | 1241-87-8 |
| InChI | InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+ |
1-咖啡酰奎宁酸 - Physico-chemical Properties
| Molecular Formula | C16H18O9 |
| Molar Mass | 354.31 |
| Density | 1.65 |
| Boling Point | 636.2±55.0 °C(Predicted) |
| Flash Point | 234.5°C |
| Vapor Presure | 4.66E-17mmHg at 25°C |
| Appearance | White powder |
| pKa | 2.94±0.50(Predicted) |
| Storage Condition | 2-8℃ |
| Refractive Index | 1.69 |
| Physical and Chemical Properties | Yellow crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents, derived from honeysuckle. |
1-咖啡酰奎宁酸 - Reference
| Reference Show more | 1. Cai, Z, Liao, H, Wang, C, et al. A comprehensive study of the aerial parts of Lonicera japonica Thunb. based on metabolite profiling coupled with PLS-DA. Phytochemical Analysis. 2020; 31: 786– 800. https://doi.org/10.1002/pca.2943 2. [IF=3.373] Zhichen Cai et al."A comprehensive study of the aerial parts of Lonicera japonica Thunb. based on metabolite profiling coupled with PLS-DA."Phytochem Analysis. 2020 Nov;31(6):786-800 3. [IF=6.475] Guoping Lai et al."Free, soluble conjugated and insoluble bonded phenolic acids in Keemun black tea: From UPLC-QQQ-MS/MS method development to chemical shifts monitoring during processing."Food Res Int. 2022 May;155:111041 4. [IF=3.645] Lewen Xiong et al."Study on phenolic acids of Lonicerae japonicae Flos based on ultrahigh performance liquid chromatography-tandem mass spectrometry combined with multivariate statistical analysis."JOURNAL OF SEPARATION SCIENCE |
1-咖啡酰奎宁酸 - Reference Information
| uses | 1-caffeoylquinic acid is used as a standard reference substance in biochemical research for content determination/identification/pharmacological experiments, etc. |
| biological activity | 1-Caffeoylquinic acid 1-caffeoylquinic acid is an effective NF-κB inhibitor, showing high binding affinity for RH domain of p105, Ki value is 0.002 μM, and binding energy is 1.50 Kcal/mol. 1-Caffeoylquinic acid has anti-oxidative stress ability. 1-Caffeoylquinic acid inhibits PD-1/PD-L1 interactions. |
| target | Ki: 0.002 μM (1-Cateoylquinic acid) |
Last Update：2024-04-30 12:33:59
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View History
1-咖啡酰奎宁酸
4'-Hydroxyacetophenone
3,4-DIMETHOXYSALICYLIC ACID
3,4-Dimethoxyhydrocinnamic acid, 3-(3,4-Dimethoxyphenyl)propionic acid
5-溴-3-噻吩甲酸
UNII-V083S0159D
(3-甲基-4-(甲硫基)苯基)磷酸二甲酯
CHMA
去甲肾上腺素杂质18
苄基-2-乙酰氨基-3,6-二-O-苄基-2-脱氧-α-D-吡喃葡萄糖苷
4'-Hydroxyacetophenone
3,4-DIMETHOXYSALICYLIC ACID
3,4-Dimethoxyhydrocinnamic acid, 3-(3,4-Dimethoxyphenyl)propionic acid
5-溴-3-噻吩甲酸
UNII-V083S0159D
(3-甲基-4-(甲硫基)苯基)磷酸二甲酯
CHMA
去甲肾上腺素杂质18
苄基-2-乙酰氨基-3,6-二-O-苄基-2-脱氧-α-D-吡喃葡萄糖苷