4-Methoxybenzaldoxime

Details

• Internal ID: 68c84d09-0b57-4084-9502-9be7c55a3f2b
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: N-[(4-methoxyphenyl)methylidene]hydroxylamine
• SMILES (Canonical): COC1=CC=C(C=C1)C=NO
• SMILES (Isomeric): COC1=CC=C(C=C1)C=NO
• InChI: InChI=1S/C8H9NO2/c1-11-8-4-2-7(3-5-8)6-9-10/h2-6,10H,1H3
• InChI Key: FXOSHPAYNZBSFO-UHFFFAOYSA-N
• Popularity: 18 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 151.16 g/mol
• Exact Mass: 151.063328530 g/mol
• Topological Polar Surface Area (TPSA): 41.80 Ų
• XlogP: 2.00

Synonyms

• 4-Methoxybenzaldoxime
• 3717-22-4
• (Z)-4-Methoxybenzaldehyde oxime
• 4 -methoxybenzaldoxime
• SCHEMBL8695977
• DTXSID80954133
• FXOSHPAYNZBSFO-UHFFFAOYSA-N
• AR2369
• AKOS017263894
• N-(4-Methoxybenzylidene)amine N-oxide

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.56%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.79%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.02%	96.09%
CHEMBL4208	P20618	Proteasome component C5	90.23%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.28%	86.33%
CHEMBL3492	P49721	Proteasome Macropain subunit	86.21%	90.24%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.98%	96.00%
CHEMBL1951	P21397	Monoamine oxidase A	85.26%	91.49%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.93%	99.17%

Plants that contains it

• Illicium verum

Cross-Links

• PubChem: 94712
• NPASS: NPC13630
• LOTUS: LTS0024080
• wikiData: Q82933192