ID | 1887 |
Name | Colchicine analog |
Pubchem ID | 6451116 |
KEGG ID | N/A |
Source | N/A |
Type | Unknown |
Function | Unknown |
Drug Like Properties | No |
Molecular Weight | 519.54 |
Exact mass | 519.189317 |
Molecular formula | C29H29NO8 |
XlogP | 2.4 |
Topological Polar Surface Area | 124 |
H-Bond Donor | 3 |
H-Bond Acceptor | 8 |
Rotational Bond Count | 7 |
IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]prop-2-enamide |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C=CC4=CC(=C(C=C4)O)O |
Isomeric SMILE | COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)/C=C/C4=CC(=C(C=C4)O)O |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |