Compound Identification
SMILES
CCCNCC(O)COC1=CC2=C(C=C1)C(=O)C(C1=CC=CC=C1)=C(O2)C(F)(F)F
InChIKey
InChIKey=DATGFPGTPIHOMT-UHFFFAOYSA-N
Formula
C22H22F3NO4
Mass
421.416
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Chromones Phenol ethers Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Secondary alcohol - 1,2-aminoalcohol - Organoheterocyclic compound - Oxacycle - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Not available