BIAdb Rugosinone 3112

From DrugPedia: A Wikipedia for Drug discovery

---

Revision as of 00:00, 15 January 2001

Show 3-D Structure

Show 2-D Structure

BIAdb Rugosinone 3112
Systematic (IUPAC) name
[1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone
Identifiers
CAS number	?
ATC code	?
PubChem	442350
Chemical data
Formula	C19H15NO6
Mol. mass	353.3255
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

Thalictrum rugosum

Function

Unknown

General Properties

*Molecular Weight

353.3255

*Exact Mass

353.089937

*Molecular Formula

C₁₉H₁₅NO₆

*IUPAC NAME

[1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone

*Canonical Smiles

COC1=C(C(=C(C=C1)C(=O)C2=NC=CC3=CC4=C(C=C32)OCO4)O)OC

*Isomeric Smiles

N/A

*XLogP

3.7

*Hydrogen bond donor

1

*Hydrogen bond acceptor

7

*Rotational Bond Count

4

*Topological Polar Surface Area

87.1

External Links

• Pubchem

• KEGG

Link to BIAdb Database