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Hericenone C

CAT: 0013-GTR19243053-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243053-02Size:10 mg
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Description
Hericenone C, a bioactive ketone from Hericium erinaceus, acts as an α-glucosidase inhibitor. It is utilized in biochemical research for studying glucose metabolism and shows potential in antidiabetic drug discovery investigations, both in vitro and in animal models.
CAS Number
137592-03-1
Field of Research
Metabolism Research
Smiles
C (/C=C (/CC (C=C (C) C) =O) \C) C1=C (OC) C=C (COC (CCCCCCCCCCCCCCC) =O) C (C=O) =C1O
Molecular Formula
C35H54O6
Molecular Weight
570.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hericenone C

Hericenone C is a monoterpenoid.

CAS Number137592-03-1
PubChem CID15658905
IUPAC Name[4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoate
Molecular FormulaC35H54O6
Molecular Weight570.8
XLogP11.2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count24
Heavy Atom Count41
Formal Charge0
Complexity796
SMILES
CCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C(=C1C=O)O)C/C=C(\C)/CC(=O)C=C(C)C)OC
InChI
InChI=1S/C35H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(38)41-26-29-24-33(40-5)31(35(39)32(29)25-36)21-20-28(4)23-30(37)22-27(2)3/h20,22,24-25,39H,6-19,21,23,26H2,1-5H3/b28-20+
InChIKey
OGYBKWUOLWCQDS-VFCFBJKWSA-N
Chemical Structure
2D Structure
2D structure of Hericenone C
CAS: 137592-03-1
CID: 15658905
Formula: C35H54O6
MW: 570.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.8
XLogP311.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count24
Exact Mass570.39203944
Monoisotopic Mass570.39203944
Topological Polar Surface Area89.9 Ų
Heavy Atom Count41
Formal Charge0
Complexity796
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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