Compound Identification
SMILES
O[C@@]1([C@H](OC2=CC=CC=C2C1=O)C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=CDEAFZBNQTUVJP-RTWAWAEBSA-N
Formula
C21H14ClNO5
Mass
395.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
- Level 5 Flavanones
-
Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavanones
Alternative Parents
3-hydroxyflavonoids Isoflavanones Stilbenes Chromones Nitrobenzenes Aryl alkyl ketones Nitroaromatic compounds Alkyl aryl ethers Chlorobenzenes Acyloins Aryl chlorides Tertiary alcohols Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-hydroxyflavonoid - Isoflavanone - Hydroxyflavonoid - Flavanone - Isoflavonoid - Isoflavonoid skeleton - Isoflavan - Stilbene - Chromone - Benzopyran - Chromane - 1-benzopyran - Nitrobenzene - Aryl alkyl ketone - Aryl ketone - Nitroaromatic compound - Chlorobenzene - Alkyl aryl ether - Halobenzene - Benzenoid - Monocyclic benzene moiety - Acyloin - Aryl chloride - Aryl halide - Tertiary alcohol - Ketone - C-nitro compound - Organic nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic oxide - Alcohol - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen 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
Not available