Compound Identification
SMILES
[Cl-].CCC1=C(O)C(C[NH+](C)C)=C2OC(C)=C(C(=O)C2=C1)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=PQUVQTUYYAASJY-UHFFFAOYSA-N
Formula
C23H26ClNO5
Mass
431.91
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
Hydroxyisoflavonoids Chromones Benzo-1,4-dioxanes Alkyl aryl ethers Aralkylamines Pyranones and derivatives Phenols Para dioxins Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Oxacyclic compounds Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Organic chloride salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxyisoflavonoid - Isoflavone - Chromone - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Aralkylamine - Phenol - Pyranone - Para-dioxin - Benzenoid - Pyran - Heteroaromatic compound - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Oxacycle - Ether - Organic zwitterion - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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