Hydroxyimino-(12-methyltridecyl)-oxidoazanium

Details

• Internal ID: 06693d6b-3ae4-41d2-a6eb-fb77780929e5
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Tertiary amines > Trialkylamines
• IUPAC Name: hydroxyimino-(12-methyltridecyl)-oxidoazanium
• SMILES (Canonical): CC(C)CCCCCCCCCCC[N+](=NO)[O-]
• SMILES (Isomeric): CC(C)CCCCCCCCCCC[N+](=NO)[O-]
• InChI: InChI=1S/C14H30N2O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-16(18)15-17/h14,17H,3-13H2,1-2H3
• InChI Key: IGBSLAHNYXHTDM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₃₀N₂O₂
• Molecular Weight: 258.40 g/mol
• Exact Mass: 258.230728204 g/mol
• Topological Polar Surface Area (TPSA): 61.30 Ų
• XlogP: 6.20

Synonyms

There are no found synonyms.

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
CHEMBL2581	P07339	Cathepsin D	92.96%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.63%	96.09%
CHEMBL2885	P07451	Carbonic anhydrase III	91.27%	87.45%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	87.28%	97.29%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	86.78%	92.88%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.84%	93.56%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	84.63%	92.86%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.61%	99.17%
CHEMBL3837	P07711	Cathepsin L	81.78%	96.61%
CHEMBL283	P08254	Matrix metalloproteinase 3	81.61%	97.29%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	80.71%	96.47%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 136913358
• LOTUS: LTS0104666
• wikiData: Q77559500