Compound Identification
SMILES
CCCCCOC(=O)C1=CC=C(C=C1)C1=CC2=C(OC1=O)C=C(C=C2)N(CC)CC
InChIKey
InChIKey=XJCGQNVOUPVXNX-UHFFFAOYSA-N
Formula
C25H29NO4
Mass
407.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
Isoflav-3-enes
- Level 5 Isoflav-3-enones
-
Subclass
Isoflav-3-enes
-
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 Benzoic acid esters 1-benzopyrans Dialkylarylamines Benzoyl derivatives Pyranones and derivatives Heteroaromatic compounds Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzoate ester - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Dialkylarylamine - Benzoyl - Tertiary aliphatic/aromatic amine - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactone - Amino acid or derivatives - Tertiary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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