| Phytochemical Name : Pabulenol |
| PCNDIDP0002 |
| Pubchem CID : 3009225 |
| Molecular formula: C16H14O5 |
| Canonical SMILES : CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O |
Synonymes : Pabulenol|1P9F66D29E|33889-70-2|UNII-1P9F66D29E|4-[(2S)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one|7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(((2S)-hydroxy-3-methyl-3-butenyl)oxy)-|AKOS040763721|Q27252714|{5-[2''(R)-Hydroxy-3''-methyl-3''-butenyl-oxy]furocoumarin}|4-[(2S)-2-hydroxy-3-methyl-but-3-enoxy]furo[3,2-g]chromen-7-one|4-(((2S)-2-HYDROXY-3-METHYL-3-BUTENYL)OXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE|7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-(((2S)-2-HYDROXY-3-METHYL-3-BUTENYL)OXY)-|7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-((2-HYDROXY-3-METHYL-3-BUTENYL)OXY)-, (-)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.750 |
| Log Po/w (XLOGP3) : 2.550 |
| Log Po/w (WLOGP) : 2.860 |
| Log Po/w (MLOGP) : 1.310 |
| Log Po/w (SILICOS-IT) : 3.380 |
| Consensus Log Po/w : 2.570 |