Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(C[C@@H]3[C@@H](COC3=O)C(=O)C3=CC4=C(OCO4)C=C23)=C1
InChIKey
InChIKey=KHXMONVQVIGKEN-ZIAGYGMSSA-N
Formula
C22H20O8
Mass
412.394
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
Dibenzocyclooctadiene lignans Benzodioxoles Aryl alkyl ketones Anisoles Alkyl aryl ethers Gamma butyrolactones Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzocyclooctane lignan - Lignan lactone - Benzodioxole - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Gamma butyrolactone - Benzenoid - Oxolane - Carboxylic acid ester - Ketone - Lactone - Organoheterocyclic compound - Ether - Oxacycle - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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