BIAdb Berbamine 1318
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(Difference between revisions)
Revision as of 00:00, 15 January 2001
BIAdb Berbamine 1318
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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 |
Description
Source
Pycnarrhena manillensis
Function
Vasodilator
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