Compound Identification
SMILES
COC1=C(O)C(OC)=C(Cl)C(C[C@@H]2[C@@H](CC3=CC4=C(OCO4)C=C3)COC2=O)=C1Cl
InChIKey
InChIKey=HBZPXIHJRZLWRR-NWDGAFQWSA-N
Formula
C21H20Cl2O7
Mass
455.28
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 M-chlorophenols Anisoles Dichlorobenzenes Alkyl aryl ethers Gamma butyrolactones Aryl chlorides Oxolanes Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Benzodioxole - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Methoxybenzene - 3-halophenol - 3-chlorophenol - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Gamma butyrolactone - Oxolane - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Acetal - Oxacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organochloride - 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