| Phytochemical Name : Heraclenin |
| PCNDIDH0015 |
| Pubchem CID : 458010 |
| Molecular formula: C16H14O5 |
| Canonical SMILES : CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C |
Synonymes : Heraclenin|2880-49-1|Prengenine|(+)-Heraclenin|9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one|Prangenin|UNII-G71S84CX12|CCRIS 5727|G71S84CX12|NSC 92228|7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3,3-dimethyloxiranyl)methoxy)-, (R)-|NSC92228|NSC-92228|CHEMBL500034|DTXSID40182990|7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 9-(2,3-EPOXY-3-METHYLBUTOXY)-, (R)-(+)-|HY-N4053|BDBM50361379|MFCD01725710|9-{[(2R)-3,3-dimethyloxiran-2-yl]methoxy}-7H-furo[3,2-g]chromen-7-one|AKOS032948388|MS-24083|CS-0024542|Q27278868|7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE,9-((3,3-DIMETHYLOXIRANYL)METHOXY)-, (R)-|7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2R)-3,3-dimethyl-2-oxiranyl]methoxy]-|7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2R)-3,3-dimethyloxianyl]methoxy]- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.000 |
| Log Po/w (XLOGP3) : 2.310 |
| Log Po/w (WLOGP) : 3.100 |
| Log Po/w (MLOGP) : 1.390 |
| Log Po/w (SILICOS-IT) : 3.880 |
| Consensus Log Po/w : 2.730 |