Compound Identification
SMILES
[H][C@]12C[C@]3([H])[C@]4([H])OCCN4[C@@]4([H])[C@]([H])(N5C(CO[C@]15[H])=C1C(=O)C(OC)=C(C)C(=O)[C@]41O)[C@]3([H])N2C
InChIKey
InChIKey=MXQLXPOMPYTJAB-PDAUUTCUSA-N
Formula
C21H25N3O6
Mass
415.446
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
Naphthyridines Piperazinopiperidines Cyclohexenones N-methylpiperazines Tetrahydropyridines Azepanes N-alkylpyrrolidines Piperidines Vinylogous esters Vinylogous amides Tertiary alcohols Oxazolidines Trialkylamines Hemiaminals Enamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Piperazino-3,4-b-piperidine - Naphthyridine - Diazanaphthalene - Cyclohexenone - N-alkylpiperazine - N-methylpiperazine - Tetrahydropyridine - Azepane - Piperazine - N-alkylpyrrolidine - Piperidine - 1,4-diazinane - Pyrrolidine - Oxazolidine - Tertiary alcohol - Vinylogous ester - Vinylogous amide - Hemiaminal - Ketone - Tertiary aliphatic amine - Tertiary amine - Enamine - Oxacycle - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - 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