Ingredients

3,5-di-o-caffeoylquinic acid methyl ester

C26H26O12

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: 3,5-di-o-caffeoylquinic acid methyl ester
Molecular Formula: C26H26O12
Molecular Weight: No data
Canonical SMILES: COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
Isomeric SMILES: COC(=O)C1(C[C@H](C([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
InChI: InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24?,26?/m1/s1
Oral Bioavailability: 1.735
Drug Likeness: 0.129
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data