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Coumaperine

CAT: 0013-GTR19211223-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211223-01Size:1 mg
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Description
Coumaperine, a natural 5-lipoxygenase (5-LOX) inhibitor isolated from white pepper, is a research tool for studying inflammation and oncology. Its anti-inflammatory and potential anti-cancer properties are investigated in vitro and in vivo models relevant to bacterial infection-associated diseases.
CAS Number
76733-91-0
Purity
97.97% (May vary between batches)
Smiles
C (/C=C/C=C/C1=CC=C (O) C=C1) (=O) N2CCCCC2
Molecular Formula
C16H19NO2
Molecular Weight
257.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Coumaperine

Coumaperine is a N-acylpiperidine.

CAS Number76733-91-0
PubChem CID10131321
IUPAC Name(2E,4E)-5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Molecular FormulaC16H19NO2
Molecular Weight257.33
XLogP3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity335
SMILES
C1CCN(CC1)C(=O)/C=C/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2/b6-2+,7-3+
InChIKey
QDAARMDLSCDBFU-YPCIICBESA-N
Chemical Structure
2D Structure
2D structure of Coumaperine
CAS: 76733-91-0
CID: 10131321
Formula: C16H19NO2
MW: 257.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.33
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass257.141578849
Monoisotopic Mass257.141578849
Topological Polar Surface Area40.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-160000Coumaperine

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