12-(5-Hydroxy-6-methyl-2-pyridinyl)dodecane-1,5-diol

Details

• Internal ID: 1d43bede-5437-4051-b8d6-e1b8b842d932
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Methylpyridines
• IUPAC Name: 12-(5-hydroxy-6-methyl-2-pyridinyl)dodecane-1,5-diol
• InChI: InChI=1S/C18H31NO3/c1-15-18(22)13-12-16(19-15)9-5-3-2-4-6-10-17(21)11-7-8-14-20/h12-13,17,20-22H,2-11,14H2,1H3
• InChI Key: RLBAFDJXAXIJCH-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₁NO₃
• Molecular Weight: 309.40 g/mol
• Exact Mass: 309.23039385 g/mol
• Topological Polar Surface Area (TPSA): 73.60 Ų
• XlogP: 3.70

Synonyms

• CHEMBL2022771

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	94.01%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.77%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	90.95%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.24%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.87%	99.15%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.46%	99.17%
CHEMBL2885	P07451	Carbonic anhydrase III	84.37%	87.45%
CHEMBL1951	P21397	Monoamine oxidase A	83.93%	91.49%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	81.58%	96.90%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	81.43%	92.68%
CHEMBL5805	Q9NR97	Toll-like receptor 8	80.70%	96.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.60%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	80.43%	94.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.04%	86.33%

Plants that contains it

• Senna multijuga

Cross-Links

• PubChem: 57379200
• LOTUS: LTS0222584
• wikiData: Q105239745