Compound Identification
SMILES
COCC1=C(OC)C(=O)C2=C(N3C[C@@H]4N[C@@H]4[C@]3(OC)[C@@H]2COC(N)=O)C1=O
InChIKey
InChIKey=XLBXFSDBHOHDFF-CJUKMMNNSA-N
Formula
C17H21N3O7
Mass
379.369
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 Piperazines Vinylogous esters Vinylogous amides Pyrrolines Pyrrolidines Carbamate esters Dialkylamines Dialkyl ethers Aziridines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mitosane core - Indole - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Pyrrolidine - Pyrroline - Carbamic acid ester - Vinylogous amide - Vinylogous ester - Ketone - Ether - Secondary aliphatic amine - Azacycle - Secondary amine - Aziridine - Dialkyl ether - 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