Compound Identification
SMILES
COC1=C(O)C=C(C[C@@H]2C(CC3=CC(OC)=C(OC)C=C3)COC2=O)C=C1
InChIKey
InChIKey=TUXIKUQNFFNQOA-OEMAIJDKSA-N
Formula
C21H24O6
Mass
372.417
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 Phenoxy compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Gamma butyrolactones Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Methoxyphenol - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic 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