Compound Identification
SMILES
[2H]C([2H])([2H])OC1=CC(CC2C(CC3=CC4=C(OCO4)C=C3)COC2=O)=CC(OC([2H])([2H])[2H])=C1O
InChIKey
InChIKey=DZBHCHXEAGTVGF-WFGJKAKNSA-N
Formula
C21H22O7
Mass
392.437
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
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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 Methoxyphenols Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Gamma butyrolactones Oxolanes Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Phenol ether - Anisole - Phenoxy compound - Methoxybenzene - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Oxolane - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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