| Phytochemical Name : Wyerone |
| PCNDIDW0015 |
| Pubchem CID : 643733 |
| Molecular formula: C15H14O4 |
| Canonical SMILES : CCC=CC#CC(=O)C1=CC=C(O1)C=CC(=O)OC |
Synonymes : Wyerone|20079-30-5|UNII-J61878UBBT|J61878UBBT|C08465|2-Furanacrylic acid, 5-(4-hepten-2-ynoyl)-, methyl ester, (E,Z)-|methyl (E)-3-[5-[(Z)-hept-4-en-2-ynoyl]furan-2-yl]prop-2-enoate|2-Propenoic acid, 3-(5-(1-oxo-4-hepten-2-ynyl)-2-furanyl)-, methyl ester, (E,Z)-|3-(5-hept-4-en-2-ynoyl-furan-2-yl)-acrylic acid methyl ester|methyl (2E)-3-{5-[(4Z)-hept-4-en-2-ynoyl]-2-furyl}acrylate|2-propenoic acid, 3-[5-[(4Z)-1-oxo-4-hepten-2-ynyl]-2-furanyl]-, methyl ester, (2E)-|AC1LD7U9|2-PROPENOIC ACID, 3-(5-((4Z)-1-OXO-4-HEPTEN-2-YNYL)-2-FURANYL)-, METHYL ESTER, (2E)-|SCHEMBL2811778|CHEBI:10045|DTXSID801129316|Q27108564|methyl (E)-3-[5-[(Z)-hept-4-en-2-ynoyl]-2-furyl]prop-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.490 |
| Log Po/w (XLOGP3) : 3.390 |
| Log Po/w (WLOGP) : 2.590 |
| Log Po/w (MLOGP) : 1.240 |
| Log Po/w (SILICOS-IT) : 3.470 |
| Consensus Log Po/w : 2.840 |