BIAdb Berbamine 1315
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1315 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1315 Link to BIAdb Database] | ||
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Current revision
| BIAdb Berbamine 1315
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C37H40N2O6 |
| Mol. mass | 608.7233 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Berberis vulgaris
[edit] Function
Vasodilator
[edit] General Properties
*Molecular Weight
608.7233
*Exact Mass
608.288637
*Molecular Formula
C37H40N2O6
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
*Isomeric Smiles
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
*XLogP
6.1
*Hydrogen bond donor
1
*Hydrogen bond acceptor
8
*Rotational Bond Count
3
*Topological Polar Surface Area
72.9
