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1,7-Diphenyl-4-hepten-3-one - ≥95% (LC/MS-UV), high purity , CAS No.79559-59-4
Basic Description
Synonyms
ACon1_001294 | DAH-3-Keto-4-en | SCHEMBL6373065 | 1,7-diphenyl-4-hepten-3-one | BRD-K64408267-001-01-9 | FS-7901 | (4E)-1,7-diphenyl-hepta-4-en-3-on | NCGC00180658-01 | CHEBI:173877 | BDBM50556723 | 4-Hepten-3-one, 1,7-diphenyl- | (4E)-1,7-diphenylhept-4-
Specifications & Purity
≥95%(LC/MS-UV)
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Description
Natural product derived from plant source.}
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Benzene and substituted derivatives Enones Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(E)-1,7-diphenylhept-4-en-3-one
INCHI
InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8+
InChIKey
UDNMYDZHPMNIEQ-RIYZIHGNSA-N
Smiles
C1=CC=C(C=C1)CCC=CC(=O)CCC2=CC=CC=C2
Isomeric SMILES
C1=CC=C(C=C1)CC/C=C/C(=O)CCC2=CC=CC=C2
Molecular Weight
264.36
Reaxy-Rn
5743529
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5743529&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO: 1mg/mL
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
264.400 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
7
Exact Mass
264.151 Da
Monoisotopic Mass
264.151 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
293.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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