Compound Identification
SMILES
C[N+]1(C)CCC2=CC3=C(OCO3)C=C2[C@H]1[C@@H]1OC(=O)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=SJEFPKKXTKLJJJ-VQTJNVASSA-N
Formula
C21H20NO6
Mass
382.391
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Phthalide isoquinolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Phthalide isoquinolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phthalide isoquinolines
Alternative Parents
Tetrahydroisoquinolines Phthalides Benzofuranones Benzodioxoles Aralkylamines Benzenoids Tetraalkylammonium salts Carboxylic acid esters Lactones Acetals Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide isoquinoline - Benzofuranone - Phthalide - Isobenzofuranone - Tetrahydroisoquinoline - Benzodioxole - Isocoumaran - Aralkylamine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Lactone - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalide isoquinolines. These are organic compounds with a structure characterized by an isoquinoline moiety linked to phthalide.
External Descriptors
Not available