ID | 1997 |
Name | Deacetylthiocolchicine chlorhydrate |
Pubchem ID | 84047 |
KEGG ID | N/A |
Source | N/A |
Type | Unknown |
Function | Unknown |
Drug Like Properties | No |
Molecular Weight | 409.93 |
Exact mass | 409.111457 |
Molecular formula | C20H24ClNO4S |
XlogP | N/A |
Topological Polar Surface Area | 70.8 |
H-Bond Donor | 2 |
H-Bond Acceptor | 5 |
Rotational Bond Count | 4 |
IUPAC Name | (7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[g]heptalen-9-one hydrochloride |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl |
Isomeric SMILE | COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |