8BD

3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid

Created:	2009-04-06
Last modified:	2021-03-01

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1 entries where 8BD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid
Synonyms	(E)-3-(2-methoxybenzylideneaminooxy)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-[(2-methoxyphenyl)methylideneamino]oxypropanoic acid
Formula	C₁₁ H₁₃ N O₄
Molecular Weight	223.225
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCO\N=C/c1ccccc1OC
SMILES	CACTVS	3.341	COc1ccccc1C=NOCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	COc1ccccc1C=NOCCC(=O)O
Canonical SMILES	CACTVS	3.341	COc1ccccc1\C=N/OCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccccc1\C=N/OCCC(=O)O
InChI	InChI	1.03	InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8-
InChIKey	InChI	1.03	HNYXMVDBRIIJGT-WQLSENKSSA-N

Drug Info: DrugBank

DrugBank ID	DB07282
Name	3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid
Groups	experimental
Synonyms	3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Transthyretin	MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...	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