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Alnustone (Standard)

CAT: 0804-HY-N0558RSize: 1 EachDry Ice: NoHazardous: No
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Description
Alnustone (Standard) is the analytical standard of Alnustone. This product is intended for research and analytical applications. Alnustone, a non-phenolic diarylheptanoid found in herbs and spices, is a constituent of Alpiniae Katsumada. Alnustone displays anti-emetic and anti-inflammatory activities[1][2].
CAS Number
33457-62-4
UNSPSC
12352005
Target
Others; Reference Standards
Type
Reference Standards
Related Pathways
Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/alnustone-standard.html
Smiles
O=C(/C=C/C=C/C1=CC=CC=C1)CCC2=CC=CC=C2
Molecular Formula
C19H18O
Molecular Weight
262.35
References & Citations
[1]Süleyman Göksu, et al. An efficient synthesis of alnustone, a naturally occurring compound. Turkish Journal of Chemistry 27 (1) :31-34.|[2]Claeson P, et al. Three non-phenolic diarylheptanoids with anti-inflammatory activity from Curcuma xanthorrhiza. Planta Med. 1993 Oct;59 (5) :451-4.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

(4E,6E)-1,7-Diphenylhepta-4,6-Dien-3-One

Alnustone is a diarylheptanoid.

CAS Number33457-62-4
PubChem CID5317598
IUPAC Name(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
Molecular FormulaC19H18O
Molecular Weight262.3
XLogP4.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity328
SMILES
C1=CC=C(C=C1)CCC(=O)/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+
InChIKey
OWMJDOUOHDOUFG-FNCQTZNRSA-N
Chemical Structure
2D Structure
2D structure of (4E,6E)-1,7-Diphenylhepta-4,6-Dien-3-One
CAS: 33457-62-4
CID: 5317598
Formula: C19H18O
MW: 262.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass262.135765193
Monoisotopic Mass262.135765193
Topological Polar Surface Area17.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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