| Phytochemical Name : Dicaffeoyl quinic acid |
| PCNDIDD0105 |
| Pubchem CID : 13604687 |
| Molecular formula: C25H24O12 |
| 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 |
Synonymes : CHEMBL4579886|Dicaffeoyl quinic acid|3,5-Dicaffeoyl-epi-quinic acid|879305-14-3|SCHEMBL12410527|SCHEMBL23987356|EX-A4055|BDBM50528375|3,5-Bis[(3,4-dihydroxy-trans-cinnamoyl)oxy]-1,4-dihydroxy-1-cyclohexanecarboxylic acid|((1s,3r,4r,5s)-3,5-bis(((e)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexane-1-carboxylic acid)|3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic acid|3,5-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxycyclohexanecarboxylic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.400 |
| Log Po/w (XLOGP3) : 4.470 |
| Log Po/w (WLOGP) : 4.270 |
| Log Po/w (MLOGP) : 5.650 |
| Log Po/w (SILICOS-IT) : 3.730 |
| Consensus Log Po/w : 4.300 |