Compound Identification
SMILES
CO[C@]12C3C(CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O)N3C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=IEODXZXRDPARKL-BGYQIFAQSA-N
Formula
C22H21ClN4O6
Mass
472.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
4-halobenzoic acids and derivatives Benzamides Indoles Quinones Pyrrolizines Benzoyl derivatives Chlorobenzenes Aryl chlorides Piperazines Vinylogous amides Pyrrolidines Carbamate esters Pyrrolines Tertiary carboxylic acid amides Organic carbonic acids and derivatives Enamines Aziridines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mitomycin - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Indole - Benzamide - Benzoic acid or derivatives - Pyrrolizine - Benzoyl - Quinone - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Piperazine - 1,4-diazinane - Aryl chloride - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Pyrroline - Pyrrolidine - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Ketone - Carbonic acid derivative - Aziridine - Azacycle - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Amine - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Primary aliphatic 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