Compound Identification
SMILES
O=C(CC(C(C#N)C#N)C1=CC2=CC=CC=C2C=C1)C1=CC=CC=C1
InChIKey
InChIKey=MEFWHUSARDJKLF-UHFFFAOYSA-N
Formula
C22H16N2O
Mass
324.383
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Not available
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Lignans, neolignans and related compounds
Alternative Parents
Retro-dihydrochalcones Alkyl-phenylketones Butyrophenones Naphthalenes Benzoyl derivatives Aryl alkyl ketones Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Norlignan skeleton - Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Naphthalene - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Benzenoid - Monocyclic benzene moiety - Ketone - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
External Descriptors
Not available