Compound Identification
SMILES
COC(=O)C1=C(C)C2=C(C3=C(OCO3)C=C2)C(=C1COS(C)(=O)=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=REZBVQGYAZVYGK-UHFFFAOYSA-N
Formula
C22H19FO7S
Mass
446.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Arylnaphthalene lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Arylnaphthalene lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Arylnaphthalene lignans
Alternative Parents
Naphthalenecarboxylic acids Benzodioxoles Fluorobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl fluorides Sulfonyls Methyl esters Methanesulfonates Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Arylnaphthalene lignan skeleton - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Naphthalene - Benzodioxole - Halobenzene - Fluorobenzene - Organosulfonic acid ester - Sulfonic acid ester - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organofluoride - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.
External Descriptors
Not available