Compound Identification
SMILES
COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(NC2=CC=CC=C2O)=C(C)C1=O
InChIKey
InChIKey=SIBIHSDUBSGCMI-UHFFFAOYSA-N
Formula
C21H22N4O6
Mass
426.429
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indolequinones
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Level 5
Mitomycins, mitosane and mitosene derivatives
- Level 6 Mitomycins
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Level 5
Mitomycins, mitosane and mitosene derivatives
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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
Mitomycins, mitosane and mitosene derivatives
Direct Parent
Mitomycins
Alternative Parents
Indoles o-Aminophenols Quinones Pyrrolizines Aniline and substituted anilines Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Piperazines Vinylogous amides Pyrrolines Pyrrolidines Carbamate esters Organic carbonic acids and derivatives Enamines Dialkylamines Aziridines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mitomycin - Indole - O-aminophenol - Aniline or substituted anilines - Quinone - Pyrrolizine - Aminophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Phenol - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Vinylogous amide - Carbamic acid ester - Pyrroline - Pyrrolidine - Carbonic acid derivative - Ketone - Azacycle - Secondary amine - Enamine - Secondary aliphatic amine - Aziridine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as mitomycins. These are polycyclic compounds with a structure based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione.
External Descriptors
Not available