| Phytochemical Name : Columbianetin acetate |
| PCNDIDC0228 |
| Pubchem CID : 161409 |
| Molecular formula: C16H16O5 |
| Canonical SMILES : CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
Synonymes : Columbianetin acetate|23180-65-6|O-Acetylcolumbianetin|(+)-Columbianetin acetate|2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate|(S)-Columbianetin acetate|Acetyl columbianetin|(8S)-columbianetin acetate|(8S)-O-acetylcolumbianetin|SCHEMBL12247775|HY-N0363A|DTXSID90177755|CHEBI:132626|AKOS015896724|AC-34203|AS-82725|CS-0032511|E80579|(S)-2-(2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl)propan-2-yl acetate|2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl acetate|2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.820 |
| Log Po/w (XLOGP3) : 2.490 |
| Log Po/w (WLOGP) : 2.440 |
| Log Po/w (MLOGP) : 2.010 |
| Log Po/w (SILICOS-IT) : 3.210 |
| Consensus Log Po/w : 2.590 |