Compound Identification
SMILES
COC1=C(OC)C=C(\C=C2/C(COC2=O)C(=O)C2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=NKKSQNLYEGIMTI-VGOFMYFVSA-N
Formula
C21H18O7
Mass
382.368
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 Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles Aryl alkyl ketones Alkyl aryl ethers Gamma butyrolactones Enoate esters Oxolanes Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Dimethoxybenzene - O-dimethoxybenzene - Benzodioxole - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Lactone - Ketone - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Aldehyde - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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