Compound Identification
SMILES
CC1=CC2=C(C=C1C)N(C[C@@H](OC(=O)C1=CN=CC=C1)[C@@H](OC(=O)C1=CN=CC=C1)[C@H](COC(=O)C1=CN=CC=C1)OC(=O)C1=CN=CC=C1)C1=NC(=O)NC(=O)C1=N2
InChIKey
InChIKey=TXGSMRRWACWHFZ-HWIYEDSRSA-N
Formula
C41H32N8O10
Mass
796.753
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
Tetracarboxylic acids and derivatives Quinoxalines Pyridinecarboxylic acids Pyrimidones Pyrazines Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Tetracarboxylic acid or derivatives - Diazanaphthalene - Quinoxaline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyrimidone - Pyrazine - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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