Compound Identification
SMILES
CCC(=O)C1=C(O)C(C)=C(OC)C(CC(CO)C(O)C(=O)C2=C(O)C(CC3=C(O)C(C(=O)CC)=C(O)C(C)=C3OC)=CC=C2)=C1O
InChIKey
InChIKey=CTKNHHBFTUFPBL-UHFFFAOYSA-N
Formula
C34H40O12
Mass
640.682
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
Alkyl-phenylketones Diphenylmethanes Butyrophenones Methoxyphenols Phenylpropanes Phenoxy compounds Para cresols Ortho cresols Resorcinols Methoxybenzenes Anisoles Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Toluenes Acyloins Monosaccharides Vinylogous acids Alpha-hydroxy ketones Secondary alcohols Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Norlignan skeleton - Diphenylmethane - Alkyl-phenylketone - Butyrophenone - Methoxyphenol - Phenylketone - Phenylpropane - Anisole - Benzoyl - Phenoxy compound - O-cresol - P-cresol - Phenol ether - Resorcinol - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Toluene - Acyloin - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Alpha-hydroxy ketone - Vinylogous acid - Ketone - Secondary alcohol - Ether - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Organooxygen compound - Primary alcohol - 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