Compound Identification
SMILES
CCN(CC)C(=CC(=O)C1=CC=C(OC)C=C1)C(=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=JIOFZUZPYZAURB-UHFFFAOYSA-N
Formula
C22H25NO4
Mass
367.445
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
Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl ketones Anisoles Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Acryloyl compounds Alpha-amino ketones Enones Trialkylamines Enamines Hydrocarbon derivatives Organic oxides Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Alpha,beta-unsaturated ketone - Vinylogous amide - Alpha-aminoketone - Acryloyl-group - Enone - Tertiary aliphatic amine - Tertiary amine - Ketone - Enamine - Ether - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Aldehyde - Aromatic homomonocyclic 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