BIAdb Actinodaphine 1087

From DrugPedia: A Wikipedia for Drug discovery

Show 3-D Structure

Show 2-D Structure

BIAdb Actinodaphine 1087
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	160502
Chemical data
Formula	C18H17NO4
Mol. mass	311.33188
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

Litsea sebifera

Function

Antimicrobial

General Properties

*Molecular Weight

311.33188

*Exact Mass

311.115758

*Molecular Formula

C₁₈H₁₇NO₄

*IUPAC NAME

N/A

*Canonical Smiles

COC1=C(C=C2CC3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O

*Isomeric Smiles

COC1=C(C=C2C[C@H]3C4=C(C2=C1)C5=C(C=C4CCN3)OCO5)O

*XLogP

2.4

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

1

*Topological Polar Surface Area

60

External Links

• Pubchem

• KEGG

Link to BIAdb Database