Compound Identification
SMILES
COC1=CC(=CC=C1O)[C@H]1OC2=C3OC(=O)C=CC3=CC(OC)=C2O[C@@H]1COC(C)=O
InChIKey
InChIKey=OPHOIUCADFRJAM-IEBWSBKVSA-N
Formula
C22H20O9
Mass
428.393
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Coumarinolignans
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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 1-benzopyrans Methoxyphenols Benzo-1,4-dioxanes Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Para dioxins Heteroaromatic compounds Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular-fused coumarolignan skeleton - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - P-dioxolo[2,3-h]coumarin - Coumarin - Methoxyphenol - Benzopyran - 1-benzopyran - Benzodioxane - Benzo-1,4-dioxane - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Pyran - Benzenoid - Para-dioxin - Heteroaromatic compound - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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