Compound Identification
SMILES
COC1=CC=C(C=C1)C1C(C#N)C(=N)OC2=C1C=CC1=C2C=CC=C1N
InChIKey
InChIKey=CQUJZBBGCMSVOH-UHFFFAOYSA-N
Formula
C21H17N3O2
Mass
343.386
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavans
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavans
Alternative Parents
Naphthopyrans Naphthalenes 1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrans Imidoesters Oxacyclic compounds Nitriles Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavan - Naphthopyran - Chromane - Benzopyran - 1-benzopyran - Naphthalene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Imido ester - Oxacycle - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.
External Descriptors
Not available