Compound Identification
SMILES
CCOC(=O)[C@@]1(CC2=CC=CC=C2)O[C@H]([C@H]([C@@H]1C)C(=O)N1CCOC1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KTUVYBZITOHMRU-NQOWGVLHSA-N
Formula
C25H26ClNO6
Mass
471.93
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
Chlorobenzenes Fatty acid esters Oxazolidinones Aryl chlorides Oxolanes Carbamate esters Dicarboximides Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,8p-epoxylignan - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxazolidinone - Dicarboximide - Carbamic acid ester - Oxolane - Oxazolidine - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - 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