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3'-Hydroxyflavanone - 98%, high purity , CAS No.92496-65-6
Basic Description
Synonyms
2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one | MFCD00017738 | 2-(3-hydroxyphenyl)chroman-4-one | HMS1552K18 | SMR001223897 | D90992 | AKOS015856154 | TimTec1_006574 | 5O4MY88W2V | 3'-hydroxy flavanone | HMS3040B14 | DTXSID50393419 | 3''''-Hydroxyflavanone
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavanones
Alternative Parents
Monohydroxyflavonoids 3'-hydroxyflavonoids Chromones Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavanone - Hydroxyflavonoid - 3'-hydroxyflavonoid - Monohydroxyflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavanones. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.
External Descriptors
3'-hydroxyflavanones - monohydroxyflavanone
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(Human)
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
2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
INCHI
InChI=1S/C15H12O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15-16H,9H2
InChIKey
JVSPTYZZNUXJHN-UHFFFAOYSA-N
Smiles
C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O
Isomeric SMILES
C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O
Molecular Weight
240.26
Reaxy-Rn
1288274
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1288274&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
240.250 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
240.079 Da
Monoisotopic Mass
240.079 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
315.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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