Compound Identification
SMILES
COC(=O)[C@@]1(O[C@@H]([C@H]([C@@H]1C1=CC=CC=C1)C(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=YBSLDCRTXFONFF-LBWLPYLASA-N
Formula
C31H25BrO4
Mass
541.441
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
- Level 5 7,9'-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
Not available
Direct Parent
7,9'-epoxylignans
Alternative Parents
7,7'-epoxylignans 7,8'-epoxylignans Dibenzylbutane lignans Stilbenes Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Aryl bromides Methyl esters Oxolanes Dialkyl ethers Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,7p-epoxylignan - 7,9p-epoxylignan - 7,8p-epoxylignan - Dibenzylbutane lignan skeleton - Stilbene - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Methyl ester - Oxolane - Carboxylic acid ester - Ketone - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively.
External Descriptors
Not available