Compound Identification
SMILES
OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1.CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=GTUQKOSXYWMRKU-ZOWNYOTGSA-N
Formula
C28H28F3N3O9
Mass
607.539
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavans
- Level 5 Flavanones
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Subclass
Flavans
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Class
Flavonoids
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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
7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Dinitroanilines Chromones Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Oxacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Not available
Substituents
Hydroxyflavonoid - Flavanone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - Dinitroaniline - Chromone - Trifluoromethylbenzene - 1-benzopyran - Chromane - Benzopyran - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Organic nitro compound - Ketone - C-nitro compound - Tertiary amine - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic salt - Organohalogen compound - Organic nitrogen compound - Organofluoride - Amine - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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