4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol

Details

• Internal ID: 8e871985-0a5d-4ea5-b763-31e69c1637e7
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-2-ol
• InChI: InChI=1S/C10H18O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3,9,11-12H,4-7H2,1-2H3
• InChI Key: XYKGEKWHBMLSGS-UHFFFAOYSA-N
• Popularity: 11 references 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: 0.60

Synonyms

• 2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-2-ol
• 4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
• 7-Hydroxyterpineol
• p-Menth-1-ene-7,8-diol
• VD7N8A2WUC
• EINECS 226-838-9
• UNII-VD7N8A2WUC
• p-Menth-1-en-7,8-diol
• SCHEMBL7367764
• 7-HYDROXYTERPINEOL 350
• DTXSID50970380
• EN300-1608626
• 2-(4-Hydroxymethyl-cyclohex-3-enyl)-propan-2-ol
• alpha4,alpha4-Dimethyl-1-cyclohexene-1,4-dimethanol
• 1-Cyclohexene-1,4-dimethanol, alpha4,alpha4-dimethyl-

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	97.77%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.29%	91.11%
CHEMBL2581	P07339	Cathepsin D	91.96%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.69%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.63%	97.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	86.01%	93.99%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.60%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.99%	95.89%

Plants that contains it

• Artemisia xerophytica
• Cyperus longus

Cross-Links

• PubChem: 110662
• LOTUS: LTS0092261
• wikiData: Q82953557