Compound Identification
SMILES
CC[N+]1=C2C(=O)N(C)C(=O)N=C2N(C[C@@H]2OCO[C@@H]3COCO[C@@H]23)C2=C1C=C(C)C(C)=C2
InChIKey
InChIKey=CQUULQNPUMYPQV-SCTDSRPQSA-N
Formula
C22H27N4O6
Mass
443.479
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
-
Subclass
Alloxazines and isoalloxazines
- Level 5 Flavins
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Subclass
Alloxazines and isoalloxazines
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Class
Pteridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Alloxazines and isoalloxazines
Intermediate Tree Nodes
Not available
Direct Parent
Flavins
Alternative Parents
Quinoxalines Pyrimidones 1,3-dioxanes Pyrazinium compounds Pyrazines Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Acetals Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Diazanaphthalene - Quinoxaline - Pyrimidone - Meta-dioxane - Pyrazine - Benzenoid - Pyrimidine - Pyrazinium - Heteroaromatic compound - Vinylogous amide - Lactam - Acetal - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring.
External Descriptors
Not available