| Phytochemical Name : Cimicifugic acid F |
| PCNDIDC0162 |
| Pubchem CID : 6450179 |
| Molecular formula: C21H20O10 |
| Canonical SMILES : COC1=C(C=C(C=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC=C(C=C2)O)(C(=O)O)O)O |
Synonymes : Cimicifugic acid F|220618-91-7|5586G4WLE3|UNII-5586G4WLE3|CIMICIFUGIC ACID F, (+)-|(2R,3S)-2-hydroxy-3-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid|Butanedioic acid, 2-hydroxy-3-(((2E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxo-2-propenyl)oxy)-2-((4-hydroxyphenyl)methyl)-, (2R,3S)-|BUTANEDIOIC ACID, 2-HYDROXY-3-(((2E)-3-(3-HYDROXY-4-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-2-((4-HYDROXYPHENYL)METHYL)-, (2R,3S)-|2-Isoferuloylpiscidic acid|CHEMBL1097936|AKOS040735314|Q27261294 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.080 |
| Log Po/w (XLOGP3) : 1.810 |
| Log Po/w (WLOGP) : 1.070 |
| Log Po/w (MLOGP) : 0.510 |
| Log Po/w (SILICOS-IT) : 1.380 |
| Consensus Log Po/w : 1.170 |