Compound Identification
SMILES
BrC1=CC=C(C[C@H]2[C@H](CC(=O)C3=CC=CC=C3)[C@H](OC2=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=CLQAEMGFPFUPLA-WPFOTENUSA-N
Formula
C25H21BrO3
Mass
449.344
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Lignan lactones
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Lignan lactones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Lignan lactones
Alternative Parents
7,9'-epoxylignans Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Gamma butyrolactones Aryl bromides Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Lignan lactone - Tetrahydrofuran lignan - 7,9p-epoxylignan - Furanoid lignan - Alkyl-phenylketone - Phenylketone - Aryl ketone - Aryl alkyl ketone - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.
External Descriptors
Not available