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Epicoccone B

CAT: 0013-GTR19220380-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220380-02Size:50 mg
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Description
Epicoccone B is a fungal metabolite with potent antioxidant (DPPH IC50 10.8 μM) and α-glucosidase inhibitory (IC50 27.3 μM) activities, alongside reported anti-HIV properties. It serves as a valuable research tool for studying oxidative stress, diabetes, and viral infection mechanisms in biochemical and cellular assays.
CAS Number
1067224-41-2
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
OC1=C2C (=C (C) C (O) =C1O) COC2=O
Molecular Formula
C9H8O5
Molecular Weight
196.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Epicoccone B

5,6,7-trihydroxy-4-methyl-3H-2-benzofuran-1-one has been reported in Pholiota squarrosa and Epicoccum nigrum with data available.

CAS Number1067224-41-2
PubChem CID76328313
IUPAC Name5,6,7-trihydroxy-4-methyl-3H-2-benzofuran-1-one
Molecular FormulaC9H8O5
Molecular Weight196.16
XLogP1.2
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity254
SMILES
CC1=C2COC(=O)C2=C(C(=C1O)O)O
InChI
InChI=1S/C9H8O5/c1-3-4-2-14-9(13)5(4)7(11)8(12)6(3)10/h10-12H,2H2,1H3
InChIKey
IREYRQPUBOQACQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Epicoccone B
CAS: 1067224-41-2
CID: 76328313
Formula: C9H8O5
MW: 196.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.16
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass196.03717335
Monoisotopic Mass196.03717335
Topological Polar Surface Area87 Ų
Heavy Atom Count14
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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