Ingredients

(e,e)-3,5-di-o-caffeoylquinic acid

C25H24O12

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: (e,e)-3,5-di-o-caffeoylquinic acid
Molecular Formula: C25H24O12
Molecular Weight: No data
Canonical SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O
Isomeric SMILES: C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O
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
Oral Bioavailability: 48.145
Drug Likeness: 0.156
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data