Compound Identification
SMILES
CCCCC(=O)OCC1=CC=C(C=C1)C1=CC2=C(OC1=O)C=C(C=C2)N(CC)CC
InChIKey
InChIKey=AKRWBTABHRAXFJ-UHFFFAOYSA-N
Formula
C25H29NO4
Mass
407.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enones
Alternative Parents
Coumarins and derivatives Benzyloxycarbonyls 1-benzopyrans Dialkylarylamines Pyranones and derivatives Fatty acid esters Heteroaromatic compounds Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - Benzyloxycarbonyl - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fatty acid ester - Pyranone - Monocyclic benzene moiety - Pyran - Fatty acyl - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
External Descriptors
Not available