Compound Identification
SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(NC2=CC(O)=CC=C2)=C(C)C1=O
InChIKey
InChIKey=UFJKIIYWDWNGRE-PGDDNOQISA-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
-
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
-
Subclass
Indolequinones
-
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 m-Aminophenols Quinones Pyrrolizines Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids Piperazines Vinylogous amides Pyrrolines Pyrrolidines Carbamate esters Azacyclic compounds Aziridines Dialkylamines Enamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mitomycin - Indole - Aminophenol - M-aminophenol - Aniline or substituted anilines - Pyrrolizine - Quinone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Vinylogous amide - Carbamic acid ester - Pyrrolidine - Pyrroline - Ketone - Azacycle - Enamine - Secondary aliphatic amine - Aziridine - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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