| Phytochemical Name : Triptophenolide |
| PCNDIDT0112 |
| Pubchem CID : 173273 |
| Molecular formula: C20H24O3 |
| Canonical SMILES : CC(C)C1=C(C2=C(C=C1)C3(CCC4=C(C3CC2)COC4=O)C)O |
Synonymes : Triptophenolide|74285-86-2|Tryptophenolide|Hypolide|(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one|Phenanthro[1,2-c]furan-1(3H)-one,3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-,(3bR,9bS)-|Hypolide;(+)-Triptophenolide|Triptohenolide|(-)-triptophenolide|(+)-Triptophenolide|Spectrum_001722|SpecPlus_000566|Spectrum2_001618|Spectrum3_001928|Spectrum4_001660|Spectrum5_000539|BSPBio_003528|KBioGR_002159|KBioSS_002202|DivK1c_006662|SPECTRUM1504005|SPBio_001655|CHEMBL3039217|SCHEMBL19236270|KBio1_001606|KBio2_002202|KBio2_004770|KBio2_007338|KBio3_002756|DTXSID80995809|CHEBI:114185|BCP26008|HY-N0475|BDBM50199857|CCG-38739|MFCD00210567|s9045|AKOS015897179|CS-3764|SDCCGMLS-0066775.P001|AC-34444|MS-24563|Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-|A838080|SR-05000002569|SR-05000002569-1|BRD-K73210450-001-02-3|BRD-K73210450-001-03-1|Q27195253|(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one|6-hydroxy-7-isopropyl-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one|6-Hydroxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.100 |
| Log Po/w (XLOGP3) : 4.050 |
| Log Po/w (WLOGP) : 3.980 |
| Log Po/w (MLOGP) : 3.750 |
| Log Po/w (SILICOS-IT) : 4.670 |
| Consensus Log Po/w : 3.910 |