Berberal

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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2129 Link to BIAdb Database]
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Berberal
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 9424
ChemSpider 9053
Chemical data
Formula C40H36N2O12S
Mol. mass 768.78504
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

[edit] Description

An alkaloid with weak antibiotic properties. Substrate for MDR efflux pumps. Antimicrobial activities of berberine is potentiated by the MDR inhibitor 5´-methoxyhydnocarpin (5´-MHC). Berberine upregulates the expression of Pgp in hepatoma cells. Treatment with berberine potentially results in the reduced accumulation of chemotherapeutic drugs.

[edit] General Properties

*Molecular Weight

768.78504

*Molecular Formula

C40H36N2O12S

*IUPAC NAME

N/A

*Canonical Smiles

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+] 3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]

*Isomeric Smiles

N/A

*XLogP

N/A

*Topological Polar Surface Area

162

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source

mouse LD50 intraperitoneal 26400ug/kg (26.4mg/kg) Drugs in Japan Vol. 6, Pg. 770, 1982.

mouse LD50 intravenous 8200ug/kg (8.2mg/kg) Drugs in Japan Vol. 6, Pg. 770, 1982.

mouse LD50 subcutaneous 13200ug/kg (13.2mg/kg) Drugs in Japan Vol. 6, Pg. 770, 1982.

frog LDLo subcutaneous 20mg/kg (20mg/kg) "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.


[edit] External Links

Link to BIAdb Database