Compound Identification
SMILES
CCOC(=O)C1(C(CC2=CC=CC=C2)COC1C1=CC=CC=C1)C(=O)OCC
InChIKey
InChIKey=WKVTWBHQYWAHBQ-UHFFFAOYSA-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 7,9'-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
Dicarboxylic acids and derivatives Benzene and substituted derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,9p-epoxylignan - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Oxolane - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxide - 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