Compound Identification
SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(NC2=CC=C(S)C=C2)=C(C)C1=O
InChIKey
InChIKey=IDYGHCRZJFWISR-PGDDNOQISA-N
Formula
C21H22N4O5S
Mass
442.49
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
-
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 Aniline and substituted anilines Thiophenols Quinones Pyrrolizines Secondary alkylarylamines Piperazines Pyrrolidines Vinylogous amides Carbamate esters Pyrrolines Enamines Dialkylamines Aziridines Azacyclic compounds Organic oxides Thiols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mitomycin - Indole - Pyrrolizine - Quinone - Aniline or substituted anilines - Thiophenol - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Carbamic acid ester - Vinylogous amide - Pyrrolidine - Pyrroline - Ketone - Secondary amine - Azacycle - Arylthiol - Secondary aliphatic amine - Enamine - Aziridine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxide - 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