LUM

LUMICHROME

Created:	2000-11-20
Last modified:	2020-06-05

Find Related PDB Entry
5 entries where LUM is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	16

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	LUMICHROME
Synonyms	7,8-DIMETHYLALLOXAZINE; 6,7-DIMETHYLALLOXAZINE
Systematic Name (OpenEye OEToolkits)	7,8-dimethyl-1H-benzo[g]pteridine-2,4-dione
Formula	C₁₂ H₁₀ N₄ O₂
Molecular Weight	242.233
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C
SMILES	CACTVS	3.341	Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3
Canonical SMILES	CACTVS	3.341	Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3
InChI	InChI	1.03	InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKey	InChI	1.03	ZJTJUVIJVLLGSP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04345
Name	Lumichrome
Groups	experimental
Synonyms	7,8-dimethylalloxazine Riboflavin lumichrome 7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione Lumichrome
Categories	Biological Factors Coenzymes Enzymes and Coenzymes Heterocyclic Compounds, Fused-Ring Pigments, Biological Pteridines
CAS number	1086-80-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Flavin reductase (NADPH)	MAVKKIAIFGATGQTGLTTLAQAVQAGYEVTVLVRDSSRLPSEGPRPAHV...	unknown
Riboflavin biosynthesis protein RibF	MVVSIGVFDGVHIGHQKVLRTMKEIAFFRKDDSLIYTISYPPEYFLPDFP...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682