BIAdb Xylopine 3481

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BIAdb Xylopine 3481
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	160503
Chemical data
Formula	C18H17NO3
Mol. mass	295.33248
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 papuana

Function

Leishmanicidal

General Properties

*Molecular Weight

295.33248

*Exact Mass

295.120843

*Molecular Formula

C₁₈H₁₇NO₃

*IUPAC NAME

N/A

*Canonical Smiles

COC1=CC2=C(C=C1)C3=C4C(C2)NCCC4=CC5=C3OCO5

*Isomeric Smiles

COC1=CC2=C(C=C1)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5

*XLogP

2.8

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

1

*Topological Polar Surface Area

39.7

External Links

• Pubchem

• KEGG

Link to BIAdb Database