Compound Identification
SMILES
CC1=CC=C(C=C1)[C@H](C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NCCC(O)=O)C(O)=O
InChIKey
InChIKey=ANAUDJHBMPCLLI-RPBOFIJWSA-N
Formula
C28H29NO5
Mass
459.542
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
Biphenyls and derivatives Beta amino acids and derivatives Aromatic monoterpenoids Monocyclic monoterpenoids Medium-chain fatty acids Toluenes Amino fatty acids Branched fatty acids N-acyl amines Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Biphenyl - Beta amino acid or derivatives - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Medium-chain fatty acid - Toluene - Amino fatty acid - Branched fatty acid - Monocyclic benzene moiety - N-acyl-amine - Benzenoid - Fatty acid - Fatty acyl - Fatty amide - Dicarboxylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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