Compound Identification
SMILES
CNC1=C(SC[C@H](NC(C)=O)C(O)=O)C(=O)C2=C(O)C3=C(C[C@H](CC(O)=O)O[C@@H]3CCC(C)C)C=C2C1=O
InChIKey
InChIKey=OGFKCFDHVVBHKQ-HYVNUMGLSA-N
Formula
C26H32N2O9S
Mass
548.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Isochromanequinones
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isochromanequinones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isochromanequinones
Alternative Parents
Naphthopyranones N-acyl-L-alpha-amino acids Cysteine and derivatives Naphthoquinones 2-benzopyrans Quinones Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Vinylogous thioesters Dicarboxylic acids and derivatives Vinylogous amides Vinylogous acids Acetamides Thioenol ethers Secondary carboxylic acid amides Dialkylamines Dialkyl ethers Carboxylic acids Oxacyclic compounds Sulfenyl compounds Enamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isochromanequinone - Naphthopyranone - Naphthopyran - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Naphthoquinone - Cysteine or derivatives - Naphthalene - Benzopyran - Alpha-amino acid or derivatives - 2-benzopyran - Isochromane - Quinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Pyranone - Dicarboxylic acid or derivatives - Vinylogous thioester - Benzenoid - Pyran - Vinylogous acid - Vinylogous amide - Acetamide - Carboxamide group - Ketone - Thioenolether - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Oxacycle - Enamine - Ether - Organoheterocyclic compound - Sulfenyl compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isochromanequinones. These are polycyclic compounds containing an isochromanequinone, which is structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.
External Descriptors
Not available