| Phytochemical Name : Neotriptophenolide |
| PCNDIDN0044 |
| Pubchem CID : 133766 |
| Molecular formula: C21H26O4 |
| Canonical SMILES : CC(C)C1=CC(=C2C(=C1OC)CCC3C2(CCC4=C3COC4=O)C)O |
Synonymes : Neotriptophenolide|81827-74-9|(3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one|(3br,9bs)-9-hydroxy-6-methoxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3h)-one|CHEBI:132346|DTXSID801002257|HY-N4082|AKOS040760593|MS-25247|CS-0032076|(3bR)-3b,4,5,9b,10,11-Hexahydro-9-hydroxy-6-methoxy-9balpha-methyl-7-isopropylphenanthro[1,2-c]furan-1(3H)-one|9-Hydroxy-6-methoxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one|Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-9-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.080 |
| Log Po/w (XLOGP3) : 4.020 |
| Log Po/w (WLOGP) : 3.990 |
| Log Po/w (MLOGP) : 3.390 |
| Log Po/w (SILICOS-IT) : 4.720 |
| Consensus Log Po/w : 3.840 |