BIAdb Berbamine 1315

From DrugPedia: A Wikipedia for Drug discovery

Revision as of 00:00, 15 January 2001 (edit) Special:Contributions/ (Talk) m ← Previous diff

Revision as of 10:51, 20 November 2009 (edit) (undo) Raghavagps (Talk | contribs) m (1 revision) Next diff →

---

Revision as of 10:51, 20 November 2009

Show 3-D Structure

Show 2-D Structure

BIAdb Berbamine 1315
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 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

Berberis vulgaris

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

External Links

• Pubchem

• KEGG

Link to BIAdb Database