Compound Identification
SMILES
COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(NC2=CC=CC(C)=C2)=C(C)C1=O
InChIKey
InChIKey=JHHHDRMFSDWYDE-UHFFFAOYSA-N
Formula
C22H24N4O5
Mass
424.457
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Aminotoluenes Quinones Pyrrolizines Aniline and substituted anilines Secondary alkylarylamines Piperazines Vinylogous amides Pyrrolines Carbamate esters Pyrrolidines Dialkylamines Azacyclic compounds Enamines Aziridines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mitomycin - Indole - Aminotoluene - Aniline or substituted anilines - Pyrrolizine - Quinone - Toluene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Pyrrolidine - Pyrroline - Vinylogous amide - Carbamic acid ester - Ketone - Azacycle - Enamine - Secondary aliphatic amine - Aziridine - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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