Compound Identification
SMILES
CC(=O)OCCN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12
InChIKey
InChIKey=PVRDHKBVCDWVPD-UHFFFAOYSA-N
Formula
C16H16N4O4
Mass
328.328
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 Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Diazanaphthalene - Quinoxaline - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - 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