| Phytochemical Name : Columbianadin |
| PCNDIDC0226 |
| Pubchem CID : 6436246 |
| Molecular formula: C19H20O5 |
| Canonical SMILES : CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
Synonymes : Columbianadin|5058-13-9|Zosimin|C19H20O5|(S)-2-(2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl)propan-2-yl (Z)-2-methylbut-2-enoate|MLS000574825|CHEMBL1324067|(S,Z)-2-(2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl)propan-2-yl 2-methylbut-2-enoate|CHEBI:132624|DTXSID401317565|HMS2218E06|HY-N0362|MFCD07781426|s9017|ZB1858|AKOS030573517|CCG-267789|CS-7661|NCGC00247538-01|AC-34185|BS-42416|SMR000156217|C3479|A871516|Q-100567|(S)-8-[1-[(Z)-2-Methyl-2-butenoyloxy]-1-methylethyl]-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one|(Z)-2-Methylbut-2-enoic Acid (S)-2-(2-Oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl)propan-2-yl Ester|[1-methyl-1-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]ethyl] (Z)-2-methylbut-2-enoate|2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate|2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylet- hyl ester, (S-(Z))-|2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylethyl ester, (S-(Z))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.220 |
| Log Po/w (XLOGP3) : 3.690 |
| Log Po/w (WLOGP) : 3.380 |
| Log Po/w (MLOGP) : 2.640 |
| Log Po/w (SILICOS-IT) : 4.050 |
| Consensus Log Po/w : 3.400 |