BIAdb Reticuline 3054

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Revision as of 11:28, 20 November 2009

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BIAdb Reticuline 3054
Systematic (IUPAC) name
1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Identifiers
CAS number	?
ATC code	?
PubChem	10233
Chemical data
Formula	C19H23NO4
Mol. mass	329.39022
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 integerrima

Function

Dopamine Antagonist

General Properties

*Molecular Weight

329.39022

*Exact Mass

329.162708

*Molecular Formula

C₁₉H₂₃NO₄

*IUPAC NAME

1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC

*Isomeric Smiles

N/A

*XLogP

3

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

4

*Topological Polar Surface Area

62.2

External Links

• Pubchem

• KEGG

Link to BIAdb Database