6-(5-Hydroxydeca-1,3,7-trienyl)-1,2-dimethylpiperidin-3-ol

Details

• Internal ID: 36a362cc-02ad-49aa-98a1-3e0078ba31ef
• Taxonomy: Organoheterocyclic compounds > Piperidines
• IUPAC Name: 6-(5-hydroxydeca-1,3,7-trienyl)-1,2-dimethylpiperidin-3-ol
• InChI: InChI=1S/C17H29NO2/c1-4-5-6-10-16(19)11-8-7-9-15-12-13-17(20)14(2)18(15)3/h5-9,11,14-17,19-20H,4,10,12-13H2,1-3H3
• InChI Key: SSXVPIUBXLMMTO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₉NO₂
• Molecular Weight: 279.40 g/mol
• Exact Mass: 279.219829168 g/mol
• Topological Polar Surface Area (TPSA): 43.70 Ų
• XlogP: 2.70

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.22%	96.09%
CHEMBL2581	P07339	Cathepsin D	94.89%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	94.06%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.11%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.04%	97.09%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	89.69%	95.58%
CHEMBL206	P03372	Estrogen receptor alpha	85.61%	97.64%
CHEMBL2730	P21980	Protein-glutamine gamma-glutamyltransferase	82.05%	92.38%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	81.97%	90.24%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	81.45%	98.33%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.16%	89.62%

Plants that contains it

• Bathiorhamnus cryptophorus

Cross-Links

• PubChem: 73833908
• LOTUS: LTS0036903
• wikiData: Q105260023