| Phytochemical Name : Miltirone |
| PCNDIDM0129 |
| Pubchem CID : 160142 |
| Molecular formula: C19H22O2 |
| Canonical SMILES : CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O |
Synonymes : Miltirone|27210-57-7|Miltiron|Rosmariquinone|8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione|CHEMBL45830|CHEBI:34851|NSC639662|Miltirone; NSC 639662; Rosmariquinone|2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione|8,8-dimethyl-2-(propan-2-yl)-3,4,5,6,7,8-hexahydrophenanthrene-3,4-dione|Miltrione|NSC 639662|2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione|D02UOE|SCHEMBL13568178|DTXSID20181683|HY-N1951|5,6,7,8-tetrahydro-8,8-dimethyl-2-isopropyl-3,4-phenanthrenedione|BDBM50009219|MFCD00238644|5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione|AKOS015909796|NSC-639662|AC-34173|MS-24015|NCI60_013161|CS-0018262|FT-0628947|20-Nor-5,7,9,13-abietatetraene-11,12-dione|Q27116297|2-isopropyl-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione|5,6,7,8-Tetrahydro-2-isopropyl-8,8-dimethyl-3,4-phenanthraquinone|3,4-Phenanthrenedione, 5,6,7,8-tetrahydro-8,8-dimethyl-2-(1-methylethyl)-|5,6,7,8-Tetrahydro-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenedione, 9CI|miltirone;2-Isopropyl-8,8-dimethyl-5,6,7,8-tetrahydro-phenanthrene-3,4-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.840 |
| Log Po/w (XLOGP3) : 4.880 |
| Log Po/w (WLOGP) : 4.000 |
| Log Po/w (MLOGP) : 3.240 |
| Log Po/w (SILICOS-IT) : 5.270 |
| Consensus Log Po/w : 4.040 |