Compound Identification
SMILES
COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(OCCCN2CCN(C)CC2)=C(C)C1=O
InChIKey
InChIKey=KSAGHIDIGCJAAO-UHFFFAOYSA-N
Formula
C23H33N5O6
Mass
475.546
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 Vinylogous esters Vinylogous amides Pyrrolines Pyrrolidines Carbamate esters Trialkylamines Dialkylamines Aziridines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitosane core - Indole - Pyrrolizine - Quinone - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrrolidine - Pyrroline - Carbamic acid ester - Vinylogous ester - Vinylogous amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Aziridine - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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