Compound Identification
SMILES
COC(=O)C(CC(=O)C1=CC2=C(OCO2)C=C1Br)(CC1=CC(OC)=C(OC)C(OC)=C1I)C(=O)OC
InChIKey
InChIKey=ZZBTUPOQHXYWOU-UHFFFAOYSA-N
Formula
C24H24BrIO10
Mass
679.254
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 Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Gamma-keto acids and derivatives Alkyl aryl ethers Fatty acid esters Iodobenzenes Aryl bromides Aryl iodides Dicarboxylic acids and derivatives Vinylogous halides Methyl esters Acetals Oxacyclic compounds Organic oxides Organobromides Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Norlignan skeleton - Butyrophenone - Benzodioxole - Phenoxy compound - Anisole - Gamma-keto acid - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Halobenzene - Iodobenzene - Fatty acid ester - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Aryl iodide - Keto acid - Fatty acyl - Methyl ester - Vinylogous halide - Carboxylic acid ester - Ketone - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organohalogen compound - Carbonyl group - Organobromide - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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