Compound Identification
SMILES
CCCCN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)N(CCC[N+](CCOCCOC)(CCOCCOC)CCOCCOC)C(=O)N=C12
InChIKey
InChIKey=KAUOVFGJUJXQLF-UHFFFAOYSA-N
Formula
C34H56N5O8
Mass
662.848
Taxonomic Classification
Taxonomy Tree
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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 Cholines Pyrazines Benzenoids Vinylogous amides Tetraalkylammonium salts Heteroaromatic compounds Lactams Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Quinoxaline - Choline - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Heteroaromatic compound - Vinylogous amide - Lactam - Ether - Azacycle - Dialkyl ether - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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