Compound Identification
SMILES
CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(SC2=NC3=CC=CC=C3S2)C1=O
InChIKey
InChIKey=BTNSSHQXAOSNRE-HBEICTQUSA-N
Formula
C21H19N5O5S2
Mass
485.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Indolequinones
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolequinones
Intermediate Tree Nodes
Not available
Direct Parent
Indolequinones
Alternative Parents
Benzothiazoles Indoles Aryl thioethers Quinones Pyrrolizines Vinylogous thioesters Benzenoids Piperazines Vinylogous amides Thiazoles Carbamate esters Heteroaromatic compounds Pyrrolines Pyrrolidines Thioenol ethers Enamines Dialkylamines Sulfenyl compounds Azacyclic compounds Aziridines Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolequinone - 1,3-benzothiazole - Indole - Aryl thioether - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous thioester - Azole - Carbamic acid ester - Thiazole - Vinylogous amide - Heteroaromatic compound - Pyrroline - Pyrrolidine - Thioenolether - Ketone - Azacycle - Sulfenyl compound - Secondary amine - Aziridine - Secondary aliphatic amine - Enamine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolequinones. These are polycyclic compounds containing an indolequinone moiety, which consists of an indole bearing two ketones at positions 5 and 6 (or 4 and 7).
External Descriptors
Not available