BIAdb Isoteolin 2443

From DrugPedia: A Wikipedia for Drug discovery

Show 3-D Structure

Show 2-D Structure

BIAdb Isoteolin 2443
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	133323
Chemical data
Formula	C19H21NO4
Mol. mass	327.37434
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

[edit] Description

[edit] Source

Nectandra salicifolia

[edit] Function

Insect feeding inhibitor

[edit] General Properties

*Molecular Weight

327.37434

*Exact Mass

327.147058

*Molecular Formula

C₁₉H₂₁NO₄

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)O)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC

*XLogP

2.2

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

2

*Topological Polar Surface Area

62.2

[edit] External Links

• Pubchem

• KEGG

Link to BIAdb Database