Compound Identification
SMILES
COC12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(N2CCCC(O)C2)=C(C)C1=O
InChIKey
InChIKey=XCPWCRDYYWSEEV-JVKLGDMBSA-N
Formula
C20H26N4O6
Mass
418.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Pyrrolizines Quinones Piperazines Piperidines Pyrrolines Pyrrolidines Vinylogous amides Carbamate esters 1,2-aminoalcohols Trialkylamines Secondary alcohols Azacyclic compounds Enamines Dialkylamines Aziridines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitomycin - Indole - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Piperidine - Vinylogous amide - Pyrroline - Pyrrolidine - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Ketone - Secondary amine - Azacycle - Aziridine - Secondary aliphatic amine - Enamine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Amine - Organic oxide - 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