Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)[C@@H]1[C@@H](CC2=CC3=C(OCO3)C=C2)COC1=O
InChIKey
InChIKey=GRVRZDFAOUAREI-LIRRHRJNSA-N
Formula
C22H22O8
Mass
414.41
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 Alkyl-phenylketones Benzodioxoles Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Gamma butyrolactones 1,3-dicarbonyl compounds Oxolanes Carboxylic acid esters Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Alkyl-phenylketone - Phenylketone - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Gamma butyrolactone - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Oxolane - Lactone - Carboxylic acid ester - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Aldehyde - Organic oxygen compound - Carbonyl group - 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