| Phytochemical Name : Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester |
| PCNDIDC0169 |
| Pubchem CID : 5315599 |
| Molecular formula: C16H18O9 |
| Canonical SMILES : C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O |
Synonymes : Caffeoyl quinic acid (isomer of 831, 832, 833)|327161-03-5|Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester|SCHEMBL10307373|SCHEMBL21176657|AKOS015893087|4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.230 |
| Log Po/w (XLOGP3) : -0.420 |
| Log Po/w (WLOGP) : -0.750 |
| Log Po/w (MLOGP) : -1.050 |
| Log Po/w (SILICOS-IT) : -0.610 |
| Consensus Log Po/w : -0.320 |