Compound Identification
SMILES
CO[C@]12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(NCCC(O)=O)=C(C)C1=O
InChIKey
InChIKey=KNFLRCYZMRELKO-CBUHOIOFSA-N
Formula
C18H22N4O7
Mass
406.395
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolequinones
-
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
Beta amino acids and derivatives Indoles Quinones Pyrrolizines Piperazines Vinylogous amides Carbamate esters Pyrrolines Pyrrolidines Tertiary amines Amino acids Enamines Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Aziridines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitomycin - Beta amino acid or derivatives - Indole - Quinone - Pyrrolizine - 1,4-diazinane - Piperazine - Vinylogous amide - Carbamic acid ester - Pyrroline - Pyrrolidine - Amino acid or derivatives - Amino acid - Ketone - Tertiary amine - Aziridine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aliphatic 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