Compound Identification
SMILES
COC1=C(C)C(=O)C2=C(C(CNC(=O)C(C)O)N3CC4CC5=C(C(C3C2)N4C)C(=O)C(OC)=C(C)C5=O)C1=O
InChIKey
InChIKey=ZGVLLWBYFNMAOM-UHFFFAOYSA-N
Formula
C28H33N3O8
Mass
539.585
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinoline quinones
-
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 N-methylpiperazines Vinylogous esters Trialkylamines Secondary carboxylic acid amides Secondary alcohols Ketones Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Isoquinolone - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Vinylogous ester - Amino acid or derivatives - Carboxamide group - Ketone - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxide - 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