| ID | 2940 |
| Name | PMSD |
| Pubchem ID | 83890 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 707.87 |
| Exact mass | 707.312803 |
| Molecular formula | C39H49NO9S |
| XlogP | N/A |
| Topological Polar Surface Area | 131 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 10 |
| Rotational Bond Count | 8 |
| IUPAC Name | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
| Isomeric SMILE | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(C4)OS(=O)(=O)O)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |