| Phytochemical Name : Rutamarin |
| PCNDIDR0051 |
| Pubchem CID : 26948 |
| Molecular formula: C21H24O5 |
| Canonical SMILES : CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C |
Synonymes : Rutamarin|14882-94-1|(+/-)-Rutamarin|CCRIS 4345|Rutamarin, (+/-)-|2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate|NSC 263654|BRN 1400300|Chalepin acetate|2UKD4797WG|7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(acetyloxy)-1-methylethyl)-6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-|1092383-76-0|2-(1-(Acetyloxy)-1-methylethyl)-6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one|5-19-06-00053 (Beilstein Handbook Reference)|7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-6-(1,1-dimethylallyl)-2-(1-hydroxy-1-methylethyl)-, acetate|2-(1-(Acetyloxy)-1-methylethyl)-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one|2-(1-Acetyloxy-1-methylethyl)-6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one|2-(6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)propan-2-yl acetate|7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(acetyloxy)-1-methylethyl)-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-|NSC-263654|UNII-2UKD4797WG|SCHEMBL3414299|CHEMBL1917738|DTXSID501030750|NSC263654|LS-70705|Q27255620|2-[6-(2-METHYLBUT-3-EN-2-YL)-7-OXO-2H,3H,7H-FURO[3,2-G]CHROMEN-2-YL]PROPAN-2-YL ACETATE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.690 |
| Log Po/w (XLOGP3) : 4.440 |
| Log Po/w (WLOGP) : 3.900 |
| Log Po/w (MLOGP) : 3.090 |
| Log Po/w (SILICOS-IT) : 4.980 |
| Consensus Log Po/w : 4.020 |