Compound Identification
SMILES
CCOC(=O)[C@@]1(CC2=CC=CC=C2)O[C@H]([C@H]([C@@H]1C)C(=O)OC)C1=CC=CC=C1
InChIKey
InChIKey=YRJQWYUWMNATJQ-ZPDADZDASA-N
Formula
C23H26O5
Mass
382.456
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 7,8'-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
7,8'-epoxylignans
Alternative Parents
Fatty acid esters Dicarboxylic acids and derivatives Benzene and substituted derivatives Oxolanes Methyl esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,8p-epoxylignan - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Oxolane - Methyl ester - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 7,8'-epoxylignans. These are lignans that contain either isomer of the 7,8'-epoxylignan skeleton. The first isomer consists of a tetrahydrofuran that carries a phenyl group at the 2- and the 4-positions, as well as one a methyl group at the 3- and 5-positions. The second isomer consists of a tetrahydrofuran that carries a benzyl group, a phenyl group, and a methyl group at the 2-, 4-, 5-position, respectively.
External Descriptors
Not available