| Phytochemical Name : 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)- |
| PCNDIDOT0590 |
| Pubchem CID : 5321960 |
| Molecular formula: C16H18O4 |
| Canonical SMILES : CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C |
Synonymes : Toddaculin|4335-12-0|Toddaculine|2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-|5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one|CHEMBL3235996|6-(3-Methyl-2-butenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one|5,7-Dimethoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one|starbld0003785|SCHEMBL15941538|DTXSID00195829|HY-N9359|BDBM50008740|AKOS040763013|MS-23895|CS-0159520|E80586 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.230 |
| Log Po/w (XLOGP3) : 3.780 |
| Log Po/w (WLOGP) : 3.320 |
| Log Po/w (MLOGP) : 2.290 |
| Log Po/w (SILICOS-IT) : 4.090 |
| Consensus Log Po/w : 3.340 |