Compound Identification
SMILES
CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1=N2
InChIKey
InChIKey=RPADDAUXKBBASM-MYZSUADSSA-N
Formula
C18H22N4O7
Mass
406.395
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pteridines and derivatives
-
Subclass
Alloxazines and isoalloxazines
- Level 5 Flavins
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Subclass
Alloxazines and isoalloxazines
-
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 Pyrazines Monosaccharides Benzenoids Vinylogous amides Heteroaromatic compounds Secondary alcohols Lactams 1,2-diols Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Quinoxaline - Pyrimidone - Monosaccharide - Pyrazine - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Lactam - Polyol - Azacycle - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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