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(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DUGNXTVWEZZTAR-NQOWGVLHSA-N
Formula
C25H26N2O8
Mass
482.489
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
-
Class
Furanoid lignans
-
Subclass
Tetrahydrofuran lignans
- Level 5 7,8'-epoxylignans
-
Subclass
Tetrahydrofuran lignans
-
Class
Furanoid lignans
-
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
Nitrobenzenes Nitroaromatic compounds Fatty acid esters Oxazolidinones Carbamate esters Dicarboximides Oxolanes Carboxylic acid esters Organic oxoazanium compounds Oxacyclic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,8p-epoxylignan - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Fatty acyl - Dicarboximide - Oxazolidine - Oxolane - Carbamic acid ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Oxacycle - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic salt - Organic zwitterion - 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