Compound Identification
SMILES
COC(=O)[C@@H]1[C@@H](CBr)[C@@H]2C(=O)O[C@@]1(C1=CC=CC=C1)C1=CC=CC=C21
InChIKey
InChIKey=XYOPUSYNGHFKSC-FORWCCJISA-N
Formula
C20H17BrO4
Mass
401.256
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
Aryltetralin lignans Naphthalenecarboxylic acids Tetralins 2-benzopyrans Delta valerolactones Oxanes Dicarboxylic acids and derivatives Benzene and substituted derivatives Methyl esters Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lignan lactone - 1-aryltetralin lignan - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Benzopyran - Isochromane - Tetralin - 2-benzopyran - Delta valerolactone - Delta_valerolactone - Oxane - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Alkyl bromide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic 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