Compound Identification
SMILES
COC1=C(C)C(=O)C2=C([C@H](COC(=O)C3=CC=C(Br)C=C3)N3[C@@H](C2)[C@@H]2N(C)[C@@H](CC4=C2C(=O)C(OC)=C(C)C4=O)[C@@H]3C#N)C1=O
InChIKey
InChIKey=KJTUZRWYDOYJLR-KQWWLPFYSA-N
Formula
C33H30BrN3O8
Mass
676.52
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 4-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives N-methylpiperazines Bromobenzenes Aryl bromides Vinylogous esters Trialkylamines Alpha-aminonitriles Amino acids and derivatives Ketones Carboxylic acid esters Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Isoquinolone - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Bromobenzene - N-alkylpiperazine - N-methylpiperazine - Aryl bromide - 1,4-diazinane - Benzenoid - Aryl halide - Piperazine - Monocyclic benzene moiety - Vinylogous ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary amine - Tertiary aliphatic amine - Alpha-aminonitrile - Carbonitrile - Nitrile - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic 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