1-(2-Hydroxy-6-methylhept-5-en-2-yl)-4-methylcyclohexane-1,2,3,4-tetrol

Details

• Internal ID: 0da338a8-d3fa-492e-afd3-2090ff892a7d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 1-(2-hydroxy-6-methylhept-5-en-2-yl)-4-methylcyclohexane-1,2,3,4-tetrol
• InChI: InChI=1S/C15H28O5/c1-10(2)6-5-7-14(4,19)15(20)9-8-13(3,18)11(16)12(15)17/h6,11-12,16-20H,5,7-9H2,1-4H3
• InChI Key: NHBJWMZRJYBAPG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₈O₅
• Molecular Weight: 288.38 g/mol
• Exact Mass: 288.19367399 g/mol
• Topological Polar Surface Area (TPSA): 101.00 Ų
• XlogP: 0.70

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.24%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.64%	91.11%
CHEMBL221	P23219	Cyclooxygenase-1	92.22%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.55%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.78%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.47%	100.00%
CHEMBL2581	P07339	Cathepsin D	86.12%	98.95%
CHEMBL2996	Q05655	Protein kinase C delta	85.65%	97.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.35%	97.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.28%	86.33%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	82.84%	92.68%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.00%	95.89%
CHEMBL1937	Q92769	Histone deacetylase 2	81.76%	94.75%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	80.82%	96.90%

Plants that contains it

• Matricaria aurea

Cross-Links

• PubChem: 85205694
• LOTUS: LTS0080473
• wikiData: Q105179288