Compound Identification
SMILES
COC1=C(OC)C=C(C(=C1)[C@H]1OC2=C(OC)C(=C3C=CC(=O)OC3=C2O[C@@H]1CO)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=GLRKIKXMJDDCJU-RHSMWYFYSA-N
Formula
C21H18N2O12
Mass
490.377
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Coumarinolignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Coumarinolignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarinolignans
Alternative Parents
Phenylbenzo-1,4-dioxanes p-Dioxolo[2,3-h]coumarins Nitrophenyl ethers 1-benzopyrans Benzo-1,4-dioxanes Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Para dioxins Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular-fused coumarolignan skeleton - Phenylbenzodioxane - 2-phenylbenzo-1,4-dioxane - P-dioxolo[2,3-h]coumarin - Nitrophenyl ether - Coumarin - 1-benzopyran - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - O-dimethoxybenzene - Dimethoxybenzene - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Para-dioxin - Pyran - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Lactone - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Ether - Organic oxoazanium - Organoheterocyclic compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarinolignans. These are lignans with a structure characterized by the presence of a 1,4-dioxane bridge substituted by a phenyl group, and fused to a coumarin.
External Descriptors
Not available