Compound Identification
SMILES
CCSC1=C(SCC)C(=O)C2=C(C[C@H]3[C@H]4[C@@H](C[C@@H](C(C#N)N3[C@H]2CO)N4C)C(O)=O)C1=O
InChIKey
InChIKey=MUFUPGGMOPNAHA-PLVWZLKFSA-N
Formula
C22H27N3O5S2
Mass
477.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinoline quinones
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinoline quinones
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinoline quinones
Alternative Parents
Isoquinolones and derivatives Pyrrolidine carboxylic acids Azepanes N-methylpiperazines Vinylogous thioesters N-alkylpyrrolidines Thioenol ethers Amino acids Ketones Trialkylamines Alpha-aminonitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Isoquinolone - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Azepane - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Vinylogous thioester - N-alkylpyrrolidine - Piperazine - Pyrrolidine - Amino acid - Amino acid or derivatives - Ketone - Alpha-aminonitrile - Tertiary amine - Thioenolether - Tertiary aliphatic amine - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxide - Alcohol - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinoline quinones. These are isoquinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
External Descriptors
Not available