| Phytochemical Name : Chalepin |
| PCNDIDC0095 |
| Pubchem CID : 119066 |
| Molecular formula: C19H22O4 |
| Canonical SMILES : CC(C)(C=C)C1=CC2=CC3=C(C=C2OC1=O)OC(C3)C(C)(C)O |
Synonymes : Chalepin|Heliettin|CCRIS 5726|13164-04-0|7H-Furo(3,2-g)(1)benzopyran-7-one, 6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-|7H-Furo[3,2-g][1]benzopyran-7-one, 6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-|118389-19-8|2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one|CHEBI:5640|SCHEMBL4325670|DTXSID50927298|HMS3604K15|LS-188427|C09267|Q27106840|6-(1,1-dimethylallyl)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one|2-(2-Hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one|2-(2-Hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one|7H-Furo[3,2-g][1]benzopyran-7-one, 6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-|7H-Furo[3,2-g][1]benzopyran-7-one, 6-(1,1-dimethylallyl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.530 |
| Log Po/w (XLOGP3) : 3.870 |
| Log Po/w (WLOGP) : 3.330 |
| Log Po/w (MLOGP) : 2.740 |
| Log Po/w (SILICOS-IT) : 4.480 |
| Consensus Log Po/w : 3.590 |