BIAdb Longifolonine 2553

From DrugPedia: A Wikipedia for Drug discovery

Revision as of 00:00, 15 January 2001 (edit) Special:Contributions/ (Talk) m ← Previous diff

Revision as of 11:19, 20 November 2009 (edit) (undo) Raghavagps (Talk | contribs) m (1 revision) Next diff →

---

Revision as of 11:19, 20 November 2009

Show 3-D Structure

Show 2-D Structure

BIAdb Longifolonine 2553
Systematic (IUPAC) name
(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(4-hydroxyphenyl)methanone
Identifiers
CAS number	?
ATC code	?
PubChem	442312
Chemical data
Formula	C17H15NO4
Mol. mass	297.3053
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

Xylopia parviflora

Function

Unknown

General Properties

*Molecular Weight

297.3053

*Exact Mass

297.100108

*Molecular Formula

C₁₇H₁₅NO₄

*IUPAC NAME

(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(4-hydroxyphenyl)methanone

*Canonical Smiles

COC1=C(C=C2C(=C1)CCN=C2C(=O)C3=CC=C(C=C3)O)O

*Isomeric Smiles

N/A

*XLogP

2.1

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

3

*Topological Polar Surface Area

79.1

External Links

• Pubchem

• KEGG

Link to BIAdb Database