Compound Identification
SMILES
CO[C@@H]1[C@H]2[C@H](O)N3[C@@H](CC4=C([C@@H]3COC(=O)C(\C)=C/C)C(=O)C(OC)=C(C)C4=O)C(N2C)C2=C1C(=O)C(C)=C(OC)C2=O
InChIKey
InChIKey=VOTUDDUJVIHMMZ-BNQCNWFPSA-N
Formula
C31H36N2O10
Mass
596.633
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 N-methylpiperazines Fatty acid esters Vinylogous esters Enoate esters Trialkylamines Ketones Hemiaminals Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Isoquinolone - Fatty acid ester - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Fatty acyl - Vinylogous ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Hemiaminal - Ketone - Alkanolamine - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen 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