BIAdb Isothebaine 2463

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Revision as of 11:18, 20 November 2009

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BIAdb Isothebaine 2463
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	11281
Chemical data
Formula	C19H21NO3
Mol. mass	311.37494
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

Papaver bracteatum

Function

Anti-inflammatory

General Properties

*Molecular Weight

311.37494

*Exact Mass

311.152144

*Molecular Formula

C₁₉H₂₁NO₃

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC

*XLogP

2.6

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

2

*Topological Polar Surface Area

41.9

External Links

• Pubchem

• KEGG

Link to BIAdb Database