Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)[C@H]1OC2=C(O[C@@H]1CO)C1=C(C=CC(=O)O1)C(Br)=C2OC
InChIKey
InChIKey=NBEQGBFUKIARAY-RHSMWYFYSA-N
Formula
C21H19BrO8
Mass
479.279
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 1-benzopyrans Benzo-1,4-dioxanes Dimethoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Pyranones and derivatives Aryl bromides Para dioxins Heteroaromatic compounds Lactones Oxacyclic compounds Organobromides 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 - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Aryl bromide - Para-dioxin - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - 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