Compound Identification
SMILES
NCCCC(N)(C(F)F)C(=O)OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
InChIKey
InChIKey=GCXZEBOYWZMXCZ-UHFFFAOYSA-N
Formula
C21H20F2N2O6
Mass
434.396
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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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
Hydroxyisoflavonoids Chromones Phenol esters Alpha amino acids and derivatives Phenoxy compounds Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Vinylogous acids Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Monoalkylamines Carbonyl compounds Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavone - Hydroxyisoflavonoid - Chromone - Phenol ester - 1-benzopyran - Alpha-amino acid or derivatives - Benzopyran - Phenoxy compound - Fatty acid ester - Pyranone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acyl - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Primary amine - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl fluoride - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - 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