Compound Identification
SMILES
N#C[C@H]1[C@H](O[C@H]([C@@H]1C#N)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=XTSGCMGSOWSAGZ-TVFCKZIOSA-N
Formula
C18H14N2O
Mass
274.323
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 7,7'-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
7,7'-epoxylignans
Alternative Parents
Dibenzylbutane lignans Benzene and substituted derivatives Oxolanes Oxacyclic compounds Nitriles Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,7p-epoxylignan - Dibenzylbutane lignan skeleton - Monocyclic benzene moiety - Benzenoid - Oxolane - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton.
External Descriptors
Not available