Compound Identification
SMILES
CO[C@@]12[C@H]3[C@@H](CN1C1=C([C@@H]2COC(N)=O)C(=O)C(NCCCO)=C(C)C1=O)N3C
InChIKey
InChIKey=MBNUEDJNTXWGMP-MHBRSWMOSA-N
Formula
C19H26N4O6
Mass
406.439
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolequinones
-
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 N-methylpiperazines 1,3-aminoalcohols Carbamate esters Vinylogous amides Pyrrolidines Pyrrolines Trialkylamines Azacyclic compounds Enamines Dialkylamines Aziridines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitomycin - Indole - Quinone - Pyrrolizine - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Piperazine - 1,3-aminoalcohol - Vinylogous amide - Carbamic acid ester - Pyrrolidine - Pyrroline - Ketone - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Aziridine - Secondary aliphatic amine - Enamine - Azacycle - Secondary amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Carbonyl group - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - 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