Compound Identification
SMILES
COC1=C(OC)C=C(C[C@H]2COC(=O)[C@@H]2CC2=CC(Br)=CC=C2)C=C1
InChIKey
InChIKey=UOYVNYXGIOTHLU-DOTOQJQBSA-N
Formula
C20H21BrO4
Mass
405.288
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 Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Bromobenzenes Aryl bromides Gamma butyrolactones Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Bromobenzene - Alkyl aryl ether - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Gamma butyrolactone - Aryl halide - Tetrahydrofuran - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic oxide - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen 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