| Identification | Back Directory | [Name]
3-O-Caffeoylquinic acid methyl ester | [CAS]
123483-19-2 | [Synonyms]
Chlorogenic acid methylester
(E)-Chlorogenic acid methyl ester
3-caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl,Methyl chlorogenate
Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, methyl ester, (1S,3R,4R,5R)- | [Molecular Formula]
C17H20O9 | [MDL Number]
MFCD24849266 | [MOL File]
123483-19-2.mol | [Molecular Weight]
368.34 |
| Chemical Properties | Back Directory | [Boiling point ]
577.0±50.0 °C(Predicted) | [density ]
1.53±0.1 g/cm3(Predicted) | [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
Powder | [pka]
9.32±0.10(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 | [InChIKey]
MZNIJRAPCCELQX-AWOKGZDASA-N | [SMILES]
[C@]1(O)(C(OC)=O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/C2=CC=C(O)C(O)=C2)C1 | [LogP]
0.310 (est) |
| Hazard Information | Back Directory | [Uses]
3-O-Caffeoylquinic Acid Methyl Ester can be used for its antioxidant and tyrosinase inhibitory activities. | [Definition]
ChEBI: 3-O-caffeoylquinic acid methyl ester is a quinic acid. |
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