Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@@H]1C2C(COC2=O)[C@@H](NC2=CC=C(C=C2)C#N)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=DSVDQMLQXBKSBA-DRUBAWLRSA-N
Formula
C28H24N2O7
Mass
500.507
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lignans, neolignans and related compounds
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Class
Furanoid lignans
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Subclass
Tetrahydrofuran lignans
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Level 5
9,9'-epoxylignans
- Level 6 Dibenzylbutyrolactone lignans
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Level 5
9,9'-epoxylignans
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Subclass
Tetrahydrofuran lignans
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Class
Furanoid lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Furanoid lignans
Subclass
Tetrahydrofuran lignans
Intermediate Tree Nodes
9,9'-epoxylignans
Direct Parent
Dibenzylbutyrolactone lignans
Alternative Parents
Lignan lactones Tametralines Aryltetralin lignans Furanonaphthodioxoles Methoxyphenols Benzodioxoles Phenylalkylamines Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Secondary alkylarylamines Fatty acid esters Alkyl aryl ethers Gamma butyrolactones Tetrahydrofurans 1,3-dioxoles Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkylamines Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - 1-aryltetralin lignan - Tametraline - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Methoxyphenol - Benzodioxole - Phenoxy compound - Methoxybenzene - Phenylalkylamine - Phenol ether - Benzonitrile - Anisole - Secondary aliphatic/aromatic amine - Phenol - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Tetrahydrofuran - Meta-dioxole - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety.
External Descriptors
Not available