Compound Identification
SMILES
CC(C)C1=C(O)C(=O)\C(=C/NCC2=CC=CO2)C2=C(O)C(=C(C)C=C12)C1=C(C)C=C2C(C(C)C)=C(O)C(=O)\C(=C/NCC3=CC=CO3)C2=C1O
InChIKey
InChIKey=CCZGPBKTHZJBCW-HJTNQMAYSA-N
Formula
C40H40N2O8
Mass
676.766
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
Sesquiterpenoids Naphthalenes 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Vinylogous amides Furans Heteroaromatic compounds Cyclic ketones Oxacyclic compounds Dialkylamines Enamines Enols Aldehydes Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neolignan skeleton - Cadinane sesquiterpenoid - Sesquiterpenoid - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Benzenoid - Furan - Vinylogous amide - Heteroaromatic compound - Ketone - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Secondary aliphatic amine - Enamine - Enol - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Aldehyde - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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