ID | 2012 |
Name | Demecolcine |
Pubchem ID | 2832 |
KEGG ID | C11250 |
Source | Merendera robusta |
Type | Natural |
Function | Antineoplastic |
Drug Like Properties | Yes |
Molecular Weight | 371.43 |
Exact mass | 371.173273 |
Molecular formula | C21H25NO5 |
XlogP | 1.4 |
Topological Polar Surface Area | 66 |
H-Bond Donor | 1 |
H-Bond Acceptor | 6 |
Rotational Bond Count | 5 |
IUPAC Name | 1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
Isomeric SMILE | N/A |
Drugpedia | wiki |
References | 1. Chommadov,Khim.Prir.Soedin,(1991),67 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |