| Phytochemical Name : Neobyakangelicol |
| PCNDIDN0034 |
| Pubchem CID : 616064 |
| Molecular formula: C17H16O6 |
| Canonical SMILES : CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O |
Synonymes : Neobyakangelicol|35214-82-5|CHEBI:80942|9-(2-hydroxy-3-methylbut-3-enoxy)-4-methoxyfuro[3,2-g]chromen-7-one|7H-Furo[3,2-g][1]benzopyran-7-one,9-[(2-hydroxy-3-methyl-3-butenyl)oxy]-4-methoxy-, (-)-|7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2R)-2-hydroxy-3-methyl-3-butenyl]oxy]-4-methoxy- (9CI); 9-[[(2R)-2-hydroxy-3-methyl-3-buten-1-yl]oxy]-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one|Neobyakangelicin|9-(2-Hydroxy-3-methyl-3-butenyloxy)-4-methoxyfuro(3,2-g)chromen-7-one|9-(2-Hydroxy-3-methyl-3-butenyloxy)-4-methoxyfuro[3,2-g]chromen-7-one|MLS002472933|CHEMBL1699927|HMS2268M18|AKOS032948617|SMR001397042|XN163692|C17126|Q27154915|9-[(2-Hydroxy-3-methyl-3-butenyl)oxy]-4-methoxy-7H-furo[3,2-g]chromen-7-one #|55806-41-2 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.020 |
| Log Po/w (XLOGP3) : 2.870 |
| Log Po/w (WLOGP) : 2.860 |
| Log Po/w (MLOGP) : 1.010 |
| Log Po/w (SILICOS-IT) : 3.440 |
| Consensus Log Po/w : 2.640 |