(1R)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol

Details

• Internal ID: a0fb6501-196e-4789-8c53-23f8c3c73ed9
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: (1R)-4-(hydroxymethyl)-1-propan-2-ylcyclohex-3-en-1-ol
• SMILES (Canonical): CC(C)C1(CCC(=CC1)CO)O
• SMILES (Isomeric): CC(C)[C@]1(CCC(=CC1)CO)O
• InChI: InChI=1S/C10H18O2/c1-8(2)10(12)5-3-9(7-11)4-6-10/h3,8,11-12H,4-7H2,1-2H3/t10-/m0/s1
• InChI Key: GSEDQEXTVARKJC-JTQLQIEISA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25 g/mol
• Exact Mass: 170.130679813 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 0.90

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	96.09%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.38%	97.25%
CHEMBL2581	P07339	Cathepsin D	90.89%	98.95%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.67%	93.99%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.51%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.43%	94.45%
CHEMBL226	P30542	Adenosine A1 receptor	86.02%	95.93%
CHEMBL4208	P20618	Proteasome component C5	84.77%	90.00%
CHEMBL2996	Q05655	Protein kinase C delta	82.04%	97.79%

Plants that contains it

• Boswellia sacra

Cross-Links

• PubChem: 15512326
• LOTUS: LTS0212529
• wikiData: Q105017061