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)[N+]([O-])=O
InChIKey
InChIKey=XCTHOGNZYIDTNT-RHSMWYFYSA-N
Formula
C21H17N3O14
Mass
535.374
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 Dimethoxybenzenes Benzo-1,4-dioxanes Methoxyanilines Nitroaromatic compounds Phenoxy compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Para dioxins Heteroaromatic compounds Alkyl nitrates Organic nitric acids and derivatives Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular-fused coumarolignan skeleton - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - P-dioxolo[2,3-h]coumarin - Coumarin - Nitrophenyl ether - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - Nitrobenzene - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Nitroaromatic compound - Alkyl aryl ether - Pyranone - Para-dioxin - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Alkyl nitrate - Organic nitrate - Organic nitro compound - Lactone - C-nitro compound - Organic nitric acid or derivatives - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic cation - 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