OX3

4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME

Created:	2007-02-22
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where OX3 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	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
Systematic Name (OpenEye OEToolkits)	[(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
Formula	C₁₄ H₁₇ N O₃
Molecular Weight	247.29
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O\N=C\c1ccc(O)cc1)C2CCCCC2
SMILES	CACTVS	3.341	Oc1ccc(cc1)C=NOC(=O)C2CCCCC2
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C=NOC(=O)C2CCCCC2)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1)\C=N\OC(=O)C2CCCCC2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C=NOC(=O)C2CCCCC2)O
InChI	InChI	1.03	InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2/b15-10+
InChIKey	InChI	1.03	YWZBYSBZDQWXGQ-XNTDXEJSSA-N

Drug Info: DrugBank

DrugBank ID	DB08333
Name	4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
Groups	experimental
Synonyms	4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME

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