Compound Identification
SMILES
CN1[C@@H]2CN3C4=C([C@H](COC(N)=O)[C@]3(O)[C@H]12)C(=O)C(NCC#C)=C(C)C4=O
InChIKey
InChIKey=QMMMRPZTYAHAHT-RLRFVNGWSA-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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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolequinones
Intermediate Tree Nodes
Not available
Direct Parent
Mitomycins, mitosane and mitosene derivatives
Alternative Parents
Indoles Quinones Pyrrolizines N-methylpiperazines Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Pyrrolines Pyrrolidines Enones Carbamate esters Acryloyl compounds 1,3-aminoalcohols Trialkylamines 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
Mitosane core - Indole - Quinone - Pyrrolizine - N-alkylpiperazine - N-methylpiperazine - Alpha-branched alpha,beta-unsaturated-ketone - Piperazine - 1,4-diazinane - Vinylogous amide - Alpha,beta-unsaturated ketone - Carbamic acid ester - Pyrroline - Pyrrolidine - Enone - Acryloyl-group - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - 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, mitosane and mitosene derivatives. These are a group of pyrroloindolediones, which carry a methyl group at the 6-position of their quinone moiety. The mitosane (containing an aziridine) and mitosene server as backbone for mitomycins and their derivatives.
External Descriptors
Not available