Compound Identification
SMILES
COC1=C(O)C=CC(=C1)[C@@H]1C2=C(OC(N)=C1C#N)C=C(N)C=C2
InChIKey
InChIKey=LKCRBRKQVHLDIG-MRXNPFEDSA-N
Formula
C17H15N3O3
Mass
309.325
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
Methoxyphenols 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - Methoxyphenol - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Ketene acetal or derivatives - Nitrile - Carbonitrile - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Primary amine - 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