BIAdb Demecolcine 2005
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2005 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2005 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Demecolcine 2005
| |
| Systematic (IUPAC) name | |
| 1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H25NO5 |
| Mol. mass | 371.4269 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Colchicum autumnale
[edit] Function
Antineoplastic
[edit] General Properties
*Molecular Weight
371.4269
*Exact Mass
371.173273
*Molecular Formula
C21H25NO5
*IUPAC NAME
1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
*Canonical Smiles
CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
*Isomeric Smiles
N/A
*XLogP
1.4
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
5
*Topological Polar Surface Area
66
