BIAdb OBABERINE 2845
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
m (1 revision) |
(→External Links) |
||
| Line 84: | Line 84: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=2845 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2845 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb OBABERINE 2845
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C38H42N2O6 |
| Mol. mass | 622.74988 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Berberis vulgaris
[edit] Function
Antitrypanosomal
[edit] General Properties
*Molecular Weight
622.74988
*Exact Mass
622.304287
*Molecular Formula
C38H42N2O6
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC
*Isomeric Smiles
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC
*XLogP
6.7
*Hydrogen bond donor
0
*Hydrogen bond acceptor
8
*Rotational Bond Count
4
*Topological Polar Surface Area
61.9
