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Ankaflavin

CAT: 0013-GTR19206957-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206957-02Size:5 mg
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Description
Ankaflavin, a PPARγ agonist isolated from Monascus-fermented red rice, exhibits anti-inflammatory activity and selective cytotoxicity. It induces cell death in cancer cells and is used in research fields such as oncology and inflammation, with studies conducted in both in vitro and in vivo experimental models.
CAS Number
50980-32-0
Field of Research
Cell Biology, Metabolism Research, Molecular Biology
Smiles
[H][C@]12CC3=C (COC (\C=C\C) =C3) C (=O) [C@]1 (C) OC (=O) [C@@H]2C (=O) CCCCCCC
Molecular Formula
C23H30O5
Molecular Weight
386.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ankaflavin

Ankaflavin is a member of cyclohexenones.

CAS Number50980-32-0
PubChem CID49834044
IUPAC Name9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione
Molecular FormulaC23H30O5
Molecular Weight386.5
XLogP4.3
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity757
SMILES
CCCCCCCC(=O)C1C2CC3=C(COC(=C3)/C=C/C)C(=O)C2(OC1=O)C
InChI
InChI=1S/C23H30O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12,18,20H,4,6-9,11,13-14H2,1-3H3/b10-5+
InChIKey
AQTJNEHGKRUSLT-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of Ankaflavin
CAS: 50980-32-0
CID: 49834044
Formula: C23H30O5
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass386.20932405
Monoisotopic Mass386.20932405
Topological Polar Surface Area69.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N6642-01Ankaflavin

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