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Hericenone A

CAT: 0804-HY-N15388Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N15388Size:1 Each
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Description
Hericenone A (compound 6) is an isoindoline that can be isolated from the fruiting bodies of Hericium erinaceum. Hericenone A (20 μg/mL) shows the potent activity against the growth of SMMC-7221 and MHCC-97H[1].
CAS Number
126654-52-2
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Cancer
Smiles
OC1=C2C(C(OC2)=O)=CC(OC)=C1C/C=C(C)/CC(/C=C(C)\C)=O
Molecular Formula
C19H22O5
Molecular Weight
330.37
References & Citations
[1]Xu-Li Wang, et al. New isoindolinones from the fruiting bodies of Hericium erinaceum. Fitoterapia. 2016 Jun:111:58-65.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

5-((2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl)-4-hydroxy-6-methoxy-1(3H)-isobenzofuranone

Hericenone A is a terpene lactone.

CAS Number126654-52-2
PubChem CID11782478
IUPAC Name5-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-4-hydroxy-6-methoxy-3H-2-benzofuran-1-one
Molecular FormulaC19H22O5
Molecular Weight330.4
XLogP3.6
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity544
SMILES
CC(=CC(=O)C/C(=C/CC1=C(C=C2C(=C1O)COC2=O)OC)/C)C
InChI
InChI=1S/C19H22O5/c1-11(2)7-13(20)8-12(3)5-6-14-17(23-4)9-15-16(18(14)21)10-24-19(15)22/h5,7,9,21H,6,8,10H2,1-4H3/b12-5+
InChIKey
IDSCVDJWBRGNKG-LFYBBSHMSA-N
Chemical Structure
2D Structure
2D structure of 5-((2E)-3,7-Dimethyl-5-oxo-2,6-octadien-1-yl)-4-hydroxy-6-methoxy-1(3H)-isobenzofuranone
CAS: 126654-52-2
CID: 11782478
Formula: C19H22O5
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass330.14672380
Monoisotopic Mass330.14672380
Topological Polar Surface Area72.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity544
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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