2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-

Details

• Internal ID: c8b26f3b-8614-49ba-9e3b-678d183998b7
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
• InChI: InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,11-12,14H,5,7-9H2,1-4H3
• InChI Key: OTXZMHLBFXFVPP-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₄O
• Molecular Weight: 196.33 g/mol
• Exact Mass: 196.182715385 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.30

Synonyms

• 2-Cyclohexene-1-propanol, .alpha.,2,6,6-tetramethyl-
• EINECS 237-285-8
• 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanol
• AI3-32387
• 2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
• dihydro-I(2)-ionol
• alpha,2,6,6-Tetramethylcyclohex-2-ene-1-propan-1-ol
• SCHEMBL1825823
• DTXSID70884632

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	97.58%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.69%	96.09%
CHEMBL218	P21554	Cannabinoid CB1 receptor	89.64%	96.61%
CHEMBL2581	P07339	Cathepsin D	89.09%	98.95%
CHEMBL230	P35354	Cyclooxygenase-2	87.17%	89.63%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.33%	97.09%
CHEMBL221	P23219	Cyclooxygenase-1	86.17%	90.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.03%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.31%	94.45%
CHEMBL2996	Q05655	Protein kinase C delta	81.62%	97.79%

Plants that contains it

• Tridax procumbens

Cross-Links

• PubChem: 166894
• LOTUS: LTS0096176
• wikiData: Q82863271