YZ9

7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER

Created:	2000-08-30
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where YZ9 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	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	11

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER
Systematic Name (OpenEye OEToolkits)	ethyl 7-hydroxy-2-oxo-chromene-3-carboxylate
Formula	C₁₂ H₁₀ O₅
Molecular Weight	234.205
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC)C1=Cc2c(OC1=O)cc(O)cc2
SMILES	CACTVS	3.341	CCOC(=O)C1=Cc2ccc(O)cc2OC1=O
SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)C1=Cc2ccc(cc2OC1=O)O
Canonical SMILES	CACTVS	3.341	CCOC(=O)C1=Cc2ccc(O)cc2OC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)C1=Cc2ccc(cc2OC1=O)O
InChI	InChI	1.03	InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3
InChIKey	InChI	1.03	IETDBZQIWIJQJG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02728
Name	7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester
Groups	experimental
Synonyms	7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Macrophage migration inhibitory factor	MPMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAF...	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