| Phytochemical Name : Tomentolide A |
| PCNDIDT0073 |
| Pubchem CID : 44257541 |
| Molecular formula: C25H22O5 |
| Canonical SMILES : CC1C(OC2=C3C(=CC(=O)OC3=C4C=CC(OC4=C2C1=O)(C)C)C5=CC=CC=C5)C |
Synonymes : Tomentolide A|CHEBI:188089|LMPK12100026|(10S,11R)-10,11,16,16-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,13,17-pentaene-4,12-dione|4-Phenyl-6beta,7beta,10,10-tetramethyl-6,7-dihydro-2H,8H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2,8-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.520 |
| Log Po/w (XLOGP3) : 4.470 |
| Log Po/w (WLOGP) : 5.140 |
| Log Po/w (MLOGP) : 3.180 |
| Log Po/w (SILICOS-IT) : 5.490 |
| Consensus Log Po/w : 4.360 |