Compound Identification
SMILES
COC(=O)C(CC(=O)C1=CC2=C(OCO2)C=C1)CC1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=AGCCRGCZMJSETD-UHFFFAOYSA-N
Formula
C22H24O8
Mass
416.426
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
Butyrophenones Benzodioxoles Anisoles Aryl alkyl ketones Phenoxy compounds Gamma-keto acids and derivatives Methoxybenzenes Fatty acid esters Alkyl aryl ethers Methyl esters Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Norlignan skeleton - Butyrophenone - Benzodioxole - Gamma-keto acid - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Anisole - Fatty acid ester - Alkyl aryl ether - Benzenoid - Keto acid - Fatty acyl - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Aldehyde - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - 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