Compound Identification
SMILES
COCCCN1COC2=C(C1)C1=C(C=C2)C(=O)C(C2=CC=C(F)C=C2)=C(O1)C(F)(F)F
InChIKey
InChIKey=ZDCMEEQVMLMWIA-UHFFFAOYSA-N
Formula
C22H19F4NO4
Mass
437.391
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
Isoflav-2-enes
- Level 5 Isoflavones
-
Subclass
Isoflav-2-enes
-
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 Benzoxazines Pyranones and derivatives Fluorobenzenes Aryl fluorides Heteroaromatic compounds Tertiary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Chromone - Benzopyran - Benzoxazine - 1-benzopyran - Fluorobenzene - Pyranone - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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