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Asperenone

CAT: 0013-GTR19256049-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256049-02Size:10 mg
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Description
Asperenone is a 15-lipoxygenase (15-LOX) inhibitor with an IC50 of 0.3 mM. Additionally, it acts as a platelet aggregation inhibitor with an IC50 of 0.23 mM. Asperenone also exhibits antifungal properties, inhibiting the growth of pathogenic fungi Ophiostoma crassivaginatum and O. piliferum, and may be utilized in research related to cardiovascular diseases and anti-infective treatments.
CAS Number
18810-05-4
Field of Research
Infectious Disease & Virology, Metabolism Research
Smiles
C (=C/C=C/C=C (/C=C/C=C/C (CC) =O) \C) \C1=CC=CC=C1
Molecular Formula
C20H22O
Molecular Weight
278.388
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Asperenone

Asperenone is an enone that is (4E,6E,8E,10E,12E)-8-methyl-13-phenyltrideca-4,6,8,10,12-pentaene in which the two methylene hydrogens at position 3 have been replaced by an oxo group. Originally isolated from Aspergillus niger. It has a role as a lipoxygenase inhibitor, a platelet aggregation inhibitor and an Aspergillus metabolite.

CAS Number18810-05-4
PubChem CID5368642
IUPAC Name(4E,6E,8E,10E,12E)-8-methyl-13-phenyltrideca-4,6,8,10,12-pentaen-3-one
Molecular FormulaC20H22O
Molecular Weight278.4
XLogP5.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity440
SMILES
CCC(=O)/C=C/C=C/C(=C/C=C/C=C/C1=CC=CC=C1)/C
InChI
InChI=1S/C20H22O/c1-3-20(21)17-11-10-13-18(2)12-6-4-7-14-19-15-8-5-9-16-19/h4-17H,3H2,1-2H3/b6-4+,13-10+,14-7+,17-11+,18-12+
InChIKey
KMNUJIARVHVQCF-SVCWYOIUSA-N
Chemical Structure
2D Structure
2D structure of Asperenone
CAS: 18810-05-4
CID: 5368642
Formula: C20H22O
MW: 278.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.4
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass278.167065321
Monoisotopic Mass278.167065321
Topological Polar Surface Area17.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N15453Asperenone

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