Compound Identification
SMILES
CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(NCC#C)=C(C)C1=O
InChIKey
InChIKey=VWTQUILISBTGND-XIVHWCCNSA-N
Formula
C18H20N4O5
Mass
372.381
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 Quinones Pyrrolizines Piperazines Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Pyrrolines Pyrrolidines Enones Carbamate esters Acryloyl compounds Organic carbonic acids and derivatives Haloacetylenes and derivatives Dialkylamines Aziridines Azacyclic compounds Acetylides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitomycin - Indole - Quinone - Pyrrolizine - Alpha-branched alpha,beta-unsaturated-ketone - Piperazine - 1,4-diazinane - Vinylogous amide - Alpha,beta-unsaturated ketone - Carbamic acid ester - Pyrroline - Pyrrolidine - Enone - Acryloyl-group - Carbonic acid derivative - Ketone - Haloacetylene or derivatives - Acetylide - Azacycle - Secondary amine - Secondary aliphatic amine - Aziridine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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