BIAdb Colchicine 1872
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
m |
(→External Links) |
||
| (One intermediate revision not shown.) | |||
| Line 84: | Line 84: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1872 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1872 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Colchicine 1872
| |
| Systematic (IUPAC) name | |
| N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C22H25NO6 |
| Mol. mass | 399.437 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Merendera raddeana
[edit] Function
Anti-inflammatory
[edit] General Properties
*Molecular Weight
399.437
*Exact Mass
399.168188
*Molecular Formula
C22H25NO6
*IUPAC NAME
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
*Isomeric Smiles
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
*XLogP
1
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
5
*Topological Polar Surface Area
83.1
