3-Cyclohexene-1-methanol, 1-hydroxy-alpha,alpha,4-trimethyl-

Details

• Internal ID: 54e2702f-b17f-42f0-8287-2652b08ca588
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: 1-(2-hydroxypropan-2-yl)-4-methylcyclohex-3-en-1-ol
• SMILES (Canonical): CC1=CCC(CC1)(C(C)(C)O)O
• SMILES (Isomeric): CC1=CCC(CC1)(C(C)(C)O)O
• InChI: InChI=1S/C10H18O2/c1-8-4-6-10(12,7-5-8)9(2,3)11/h4,11-12H,5-7H2,1-3H3
• InChI Key: NATYWEGXDILEEH-UHFFFAOYSA-N
• Popularity: 2 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: 0.80

Synonyms

• 3-Cyclohexene-1-methanol, 1-hydroxy-alpha,alpha,4-trimethyl-
• 84295-55-6
• 1-p-menthen-4,8-diol
• SCHEMBL9134734
• 1-(2-hydroxypropan-2-yl)-4-methylcyclohex-3-en-1-ol
• DTXSID60969927
• 54649-49-9
• (+/-)-1-(1-hydroxy-1-methylethyl)-4-methyl-3-cyclohexen-1-ol

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	91.60%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.37%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.88%	96.09%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	85.23%	90.93%
CHEMBL2996	Q05655	Protein kinase C delta	84.05%	97.79%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.08%	95.56%
CHEMBL2581	P07339	Cathepsin D	82.78%	98.95%

Plants that contains it

• Curcuma comosa

Cross-Links

• PubChem: 179652
• LOTUS: LTS0185002
• wikiData: Q82952999