Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)[C@@H]1COC(=O)[C@H]1CC1=CC(OC)=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=JFFIEEJTNAOJQT-FCHUYYIVSA-N
Formula
C28H28O7
Mass
476.525
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 Alkyl-phenylketones Dimethoxybenzenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Gamma butyrolactones Oxolanes Carboxylic acid esters Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Phenylketone - Benzoyl - Methoxybenzene - Phenoxy compound - Anisole - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Benzenoid - Gamma butyrolactone - Monocyclic benzene moiety - Oxolane - Carboxylic acid ester - Ketone - Lactone - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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