| Phytochemical Name : Decursin |
| PCNDIDD0023 |
| Pubchem CID : 442126 |
| Molecular formula: C19H20O5 |
| Canonical SMILES : CC(=CC(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C |
Synonymes : Decursin|5928-25-6|(+)-Decursin|(S)-(+)-Decursin|UNII-E95RTO3YQR|E95RTO3YQR|CHEBI:4353|CHEMBL481658|[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate|(S)-7,8-Dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo(1,2-b:5,4-b')dipyran-7-yl 3-methyl-2-butenoate|2-Butenoic acid, 3-methyl-, 7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo(1,2-b:5,4-b')dipyran-7-yl ester, (S)-|(S)-2,2-dimethyl-8-oxo-2,3,4,8-tetrahydropyrano[3,2-g]chromen-3-yl 3-methylbut-2-enoate|2-butenoic acid, 3-methyl-, (7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-pyrano(3,2-G)-1-benzopyran-7-yl ester|3-methyl-2-butenoic acid, (7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-pyrano[3,2-g]-1-benzopyran-7-yl ester|CROTONIC ACID, 3-METHYL-, ESTER WITH 7,8-DIHYDRO-7-HYDROXY-8,8-DIMETHYL-2H,6H-BENZO(1,2-B:5,4-B')DIPYRAN-2-ONE, (+)-|AC1L9CAH|DECURSIN [INCI]|Decursin ((+)-Decursin)|Ambap5928-25-6|SCHEMBL14511556|DTXSID90974706|HMS3887A11|BCP10293|BDBM50361396|MFCD00272154|s9264|ZB1887|AKOS025149080|CCG-267790|AC-35119|AS-79221|HY-18981|CS-0014824|C09258|Q27106347|2-Butenoic acid, 3-methyl-, (7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl ester|8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 3-methylbut-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.760 |
| Log Po/w (XLOGP3) : 10.290 |
| Log Po/w (WLOGP) : 8.760 |
| Log Po/w (MLOGP) : 3.780 |
| Log Po/w (SILICOS-IT) : 9.150 |
| Consensus Log Po/w : 7.350 |