BIAdb (+)-Atherospermoline 1253

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Revision as of 10:47, 20 November 2009

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BIAdb (+)-Atherospermoline 1253
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	177154
Chemical data
Formula	C36H38N2O6
Mol. mass	594.69672
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

Atherosperma moschatum

Function

Hypotensive

General Properties

*Molecular Weight

594.69672

*Exact Mass

594.272987

*Molecular Formula

C₃₆H₃₈N₂O₆

*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)O)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)O)O)OC

*XLogP

5.7

*Hydrogen bond donor

2

*Hydrogen bond acceptor

8

*Rotational Bond Count

2

*Topological Polar Surface Area

83.9

External Links

• Pubchem

• KEGG

Link to BIAdb Database