BIAdb Jatrorrhizine 2469

From DrugPedia: A Wikipedia for Drug discovery

Show 3-D Structure

Show 2-D Structure

BIAdb Jatrorrhizine 2469
Systematic (IUPAC) name
2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Identifiers
CAS number	?
ATC code	?
PubChem	72323
Chemical data
Formula	C20H20NO4+
Mol. mass	338.3771
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

Enantia chlorantha

Function

Antifungal

General Properties

*Molecular Weight

338.3771

*Exact Mass

338.139233

*Molecular Formula

C₂₀H₂₀NO₄+

*IUPAC NAME

2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol

*Canonical Smiles

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC

*Isomeric Smiles

N/A

*XLogP

3.4

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

3

*Topological Polar Surface Area

51.8

External Links

• Pubchem

• KEGG

Link to BIAdb Database