SYR

SYRINGATE

Created:	2004-10-30
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where SYR 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	27
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	SYRINGATE
Systematic Name (OpenEye OEToolkits)	methyl 4-hydroxy-3,5-dimethoxy-benzoate
Formula	C₁₀ H₁₂ O₅
Molecular Weight	212.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC)c1cc(OC)c(O)c(OC)c1
SMILES	CACTVS	3.341	COC(=O)c1cc(OC)c(O)c(OC)c1
SMILES	OpenEye OEToolkits	1.5.0	COc1cc(cc(c1O)OC)C(=O)OC
Canonical SMILES	CACTVS	3.341	COC(=O)c1cc(OC)c(O)c(OC)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1cc(cc(c1O)OC)C(=O)OC
InChI	InChI	1.03	InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3
InChIKey	InChI	1.03	ZMXJAEGJWHJMGX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08589
Name	SYRINGATE
Groups	experimental
Synonyms	SYRINGATE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Endo-1,4-beta-xylanase Y	MKNKRVLAKITALVVLLGVFFVLPSNISQLYADYEVVHDTFEVNFDGWCN...	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