BIAdb Berbamine 1293

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Revision as of 00:00, 15 January 2001

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BIAdb Berbamine 1293
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 275182
Chemical data
Formula C37H40N2O6
Mol. mass 608.7233
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

Description

Source

Berberis oblonga

Function

Anticancer

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

External Links

Link to BIAdb Database