| Phytochemical Name : Artepillin A |
| PCNDIDA0197 |
| Pubchem CID : 21626500 |
| Molecular formula: C19H24O4 |
| Canonical SMILES : CC(CO)C1CC2=C(O1)C(=CC(=C2)C=CC(=O)O)CC=C(C)C |
Synonymes : Artepillin A|114590-54-4|(E)-3-[2-(1-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid|3-[2,3-Dihydro-2-(2-hydroxy-1-methylethyl)-7-(3-methyl-2-butenyl)benzofuran-5-yl]propenoic acid|SCHEMBL5790015 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.970 |
| Log Po/w (XLOGP3) : 3.980 |
| Log Po/w (WLOGP) : 3.120 |
| Log Po/w (MLOGP) : 2.590 |
| Log Po/w (SILICOS-IT) : 4.160 |
| Consensus Log Po/w : 3.360 |