Compound Identification
SMILES
CCOC1=C(OCC#C)C=CC(=C1)C1C2=C(OC(N)=C1C#N)C=C(O)C=C2
InChIKey
InChIKey=CTHYWTBHODRCFT-UHFFFAOYSA-N
Formula
C21H18N2O4
Mass
362.385
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
1-benzopyrans Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Ketene acetals Oxacyclic compounds Nitriles Acetylides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Ketene acetal or derivatives - Ether - Acetylide - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available