Compound Identification
SMILES
COC1=CC(CC(=O)NC2=CC=CC(=C2)C(=O)CC(CC(O)=O)C2=CC3=C(OCO3)C=C2)=CC2=C1NC(NC1=CC=CC=C1)O2
InChIKey
InChIKey=IPPARRCOXKQHHW-UHFFFAOYSA-N
Formula
C34H31N3O8
Mass
609.635
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 Benzodioxoles Benzoxazolines Anilides N-arylamides Aryl alkyl ketones Medium-chain fatty acids Aniline and substituted anilines Anisoles Benzoyl derivatives Phenylalkylamines Secondary alkylarylamines Amino fatty acids Heterocyclic fatty acids Alkyl aryl ethers Secondary carboxylic acid amides Orthocarboxylic acid derivatives Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Aldehydes Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Norlignan skeleton - Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Benzodioxole - Benzoxazoline - Phenylketone - Anilide - Anisole - Benzoyl - Medium-chain fatty acid - Phenylalkylamine - Aniline or substituted anilines - N-arylamide - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Amino fatty acid - Heterocyclic fatty acid - Secondary aliphatic/aromatic amine - Benzenoid - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Secondary carboxylic acid amide - Orthocarboxylic acid derivative - Carboxamide group - Ketone - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Acetal - Oxacycle - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Aldehyde - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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