Compound Identification
SMILES
OC(=O)CCCCC(CC1=CC=C(C=C1)C1=NNN=N1)\C=C\C1=CC=CC=C1OCCCCCC1=CC=CC=C1
InChIKey
InChIKey=APNANNCBYRKKOS-DYTRJAOYSA-N
Formula
C33H38N4O3
Mass
538.692
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
Phenyltetrazoles and derivatives Medium-chain fatty acids Phenol ethers Phenoxy compounds Styrenes Alkyl aryl ethers Heterocyclic fatty acids Amino fatty acids Branched fatty acids Unsaturated fatty acids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Norlignan skeleton - Phenyltetrazole - Phenoxy compound - Phenol ether - Styrene - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Unsaturated fatty acid - Benzenoid - Azole - Tetrazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic 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