Compound Identification
SMILES
COC1=C2O[C@@H](CO)[C@@H](OC2=C2OC(=O)C=CC2=C1)C1=C(OC)C(OC)=C(O)C=C1
InChIKey
InChIKey=ALKFZLIXCCALSX-YOEHRIQHSA-N
Formula
C21H20O9
Mass
416.382
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 Benzo-1,4-dioxanes Dimethoxybenzenes Methoxyphenols Anisoles Phenoxy compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Para dioxins Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular-fused coumarolignan skeleton - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - P-dioxolo[2,3-h]coumarin - Coumarin - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - Methoxyphenol - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Pyran - Para-dioxin - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Primary alcohol - 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