Pessoine

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Revision as of 05:34, 23 April 2009

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Pessoine
Systematic (IUPAC) name
(13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol
Identifiers
CAS number	?
ATC code	?
PubChem	181940
Chemical data
Formula	C18H19NO4
Mol. mass	313.34776
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

a catecholic berbine; isolated from Annona spinescens; structure given in first source

General Properties

*Molecular Weight

313.34776

*Molecular Formula

C₁₈H₁₉NO₄

*IUPAC NAME

(13aS)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10,11-triol

*Canonical Smiles

COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O

*Isomeric Smiles

COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)O)O)O

*XLogP

1.6

*Topological Polar Surface Area

73.2

External Links

• Pubchem

Link to BIAdb Database