| Phytochemical Name : Coumurrayin |
| PCNDIDC0266 |
| Pubchem CID : 176911 |
| Molecular formula: C16H18O4 |
| Canonical SMILES : CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C |
Synonymes : Coumurrayin|17245-25-9|5,7-dimethoxy-8-(3-methylbut-2-enyl)chromen-2-one|CHEMBL3235998|2H-1-Benzopyran-2-one, 5,7-dimethoxy-8-(3-methyl-2-butenyl)- ; Coumarin, 5,7-dimethoxy-8-(3-methyl-2-butenyl)-|SCHEMBL16341040|DTXSID30938160|2H-1-Benzopyran-2-one,5,7-dimethoxy-8-(3-methyl-2-buten-1-yl)-|BDBM50008742|AKOS032948534|Coumarin, 5,7-dimethoxy-8-(3-methyl-2-butenyl)-|5,7-Dimethoxy-8-(3-methylbut-2-en-1-yl)-2H-1-benzopyran-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.120 |
| 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 : 3.320 |