Compound Identification
SMILES
COC(=O)C(=C[C@@]1(CC2=CC=CC=C2)[C@H](C=C(C2=CC=CC=C2)C2=CC=CC=C2)C1(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC
InChIKey
InChIKey=MBJOCOXKCLQRDQ-HPJJWIKHSA-N
Formula
C42H36O4
Mass
604.746
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Dibenzylbutane lignans
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Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Dibenzylbutane lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzylbutane lignans
Alternative Parents
Diphenylmethanes Monocyclic monoterpenoids Aromatic monoterpenoids Carbocyclic fatty acids Styrenes Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dibenzylbutane lignan skeleton - Diphenylmethane - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Carbocyclic fatty acid - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.
External Descriptors
Not available