Compound Identification
SMILES
COC1=CC=C(NC2=C(C)C(=O)C3=C([C@H](COC(N)=O)[C@]4(OC)[C@@H]5N[C@@H]5CN34)C2=O)C=C1
InChIKey
InChIKey=XGDILERXDGUQSP-VQXITPLLSA-N
Formula
C22H24N4O6
Mass
440.456
Taxonomic Classification
Taxonomy Tree
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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
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Subclass
Indolequinones
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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
Aminophenyl ethers Indoles Methoxyanilines Quinones Pyrrolizines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Secondary alkylarylamines Piperazines Vinylogous amides Pyrrolines Pyrrolidines Carbamate esters Azacyclic compounds Aziridines Dialkylamines Enamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mitomycin - Methoxyaniline - Aminophenyl ether - Indole - Pyrrolizine - Quinone - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Anisole - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Piperazine - Benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Vinylogous amide - Carbamic acid ester - Pyrrolidine - Pyrroline - Ketone - Azacycle - Ether - Enamine - Secondary aliphatic amine - Aziridine - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen 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