Compound Identification
SMILES
CO[C@]12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(OCCSCC2=CC=CC=C2)=C(C)C1=O
InChIKey
InChIKey=PJKQEWNCRIKKTN-CTGJEYHMSA-N
Formula
C24H27N3O6S
Mass
485.56
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 Pyrrolizines Quinones Benzene and substituted derivatives Piperazines Vinylogous amides Pyrrolines Pyrrolidines Vinylogous esters Carbamate esters Tertiary amines Aziridines Dialkylthioethers Dialkylamines Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mitosane core - Indole - Pyrrolizine - Quinone - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Pyrrolidine - Pyrroline - Vinylogous ester - Carbamic acid ester - Vinylogous amide - Tertiary amine - Ketone - Secondary amine - Aziridine - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Secondary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic 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