Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1C2C(COC2=O)CC2=CC(OC)=C(OC)C=C12
InChIKey
InChIKey=YHYWCWAKWGMRSK-UHFFFAOYSA-N
Formula
C21H21BrO6
Mass
449.297
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 Naphthofurans Tetralins Methoxyphenols Phenoxy compounds Anisoles O-bromophenols Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Gamma butyrolactones Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lignan lactone - 1-aryltetralin lignan - Naphthofuran - Methoxyphenol - Tetralin - 2-halophenol - Phenoxy compound - 2-bromophenol - Phenol ether - Anisole - Methoxybenzene - Halobenzene - Phenol - Alkyl aryl ether - Bromobenzene - Benzenoid - Gamma butyrolactone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Oxolane - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxide - 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