| Phytochemical Name : Podophyllotoxone |
| PCNDIDP0142 |
| Pubchem CID : 443014 |
| Molecular formula: C22H20O8 |
| Canonical SMILES : COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5 |
Synonymes : Podophyllotoxone|477-49-6|CHEBI:8281|Podophyllotoxinone|C10875|AC1L9DV5|(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione|SureCN986475|SCHEMBL986475|CHEMBL2229978|DTXSID60963905|HY-N2415|MFCD02183443|AKOS025144402|AC-34246|MS-27119|XP161642|CS-0022616|Q27108038|(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione|(5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione|9-(3,4,5-Trimethoxyphenyl)-5a,6,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxole-5,8-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.010 |
| Log Po/w (XLOGP3) : 2.510 |
| Log Po/w (WLOGP) : 2.560 |
| Log Po/w (MLOGP) : 1.350 |
| Log Po/w (SILICOS-IT) : 3.490 |
| Consensus Log Po/w : 2.580 |