| Phytochemical Name : Methuyl tanshinonate |
| PCNDIDM0059 |
| Pubchem CID : 624381 |
| Molecular formula: C20H18O5 |
| Canonical SMILES : CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C(=O)OC |
Synonymes : Methyltanshinonate|Methyl tanshinonate|Methuyl tanshinonate|18887-19-9|135355-72-5|methyl 1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate|Phenanthro[1,2-b]furan-6-carboxylic acid, 6,7,8,9,10,11-hexahydro-1,6-dimethyl-10,11-dioxo-, methyl ester|(?)-Methyl tanshinonate|SCHEMBL16152293|FT-0628808|methyl (6S)-1,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6-carboxylate|Methyl 1,6-dimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-6-carboxylate #|methyl 6,14-dimethyl-16,17-dioxo-12-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2(7),8,11(15),13-pentaene-6-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.900 |
| Log Po/w (XLOGP3) : 3.200 |
| Log Po/w (WLOGP) : 3.400 |
| Log Po/w (MLOGP) : 1.520 |
| Log Po/w (SILICOS-IT) : 4.820 |
| Consensus Log Po/w : 3.170 |