Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1OC2=C(OC)C=C3C=CC(=O)OC3=C2O[C@@H]1COC(=O)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=WQIZCXIRVAHPRD-ZJSXRUAMSA-N
Formula
C28H24O12
Mass
552.488
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 p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters 1-benzopyrans Benzo-1,4-dioxanes Dimethoxybenzenes Hydroxybenzoic acid derivatives Methoxyphenols Anisoles Phenoxy compounds Benzoyl derivatives Catechols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Para dioxins Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular-fused coumarolignan skeleton - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - P-dioxolo[2,3-h]coumarin - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Coumarin - Methoxyphenol - Benzo-1,4-dioxane - Benzodioxane - 1-benzopyran - Benzoate ester - Dimethoxybenzene - M-dimethoxybenzene - Benzopyran - Benzoic acid or derivatives - Phenol ether - Catechol - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Pyran - Benzenoid - Monocyclic benzene moiety - Para-dioxin - Heteroaromatic compound - Carboxylic acid ester - Lactone - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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