p-Menthane-3,8-diol

Details

• Internal ID: 9fa3e46a-71bf-4b91-99ad-fb0dae950ff3
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
• SMILES (Canonical): CC1CCC(C(C1)O)C(C)(C)O
• SMILES (Isomeric): CC1CCC(C(C1)O)C(C)(C)O
• InChI: InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
• InChI Key: LMXFTMYMHGYJEI-UHFFFAOYSA-N
• Popularity: 141 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.26 g/mol
• Exact Mass: 172.146329876 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 2.20

Synonyms

• 42822-86-6
• Geranodyle
• 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
• para-menthane-3,8-diol
• 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol
• 3,8-p-menthanediol
• Citriodiol
• Geranium cyclohexane
• 2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol
• 6T6Z1Z1NC4
• 2-(1-Hydroxy-1-methylethyl)-5-methylcyclohexanol
• 8-hydroxymenthol
• p-menthan-3,8-diol
• UNII-6T6Z1Z1NC4
• Cubebaol
• EINECS 255-953-7
• trans-2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol
• 2-Hydroxy-|A,|A,4-trimethylcyclohexanemethanol
• CITRIODIOL [WHO-DD]
• SCHEMBL80731
• AMY584
• DTXSID0035744
• FEMA NO. 4053
• CHEBI:48250
• 1-hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methylcyclohexane
• Cyclohexanemethanol, 2-hydroxy-.alpha.,.alpha.,4-trimethyl-
• MFCD12756283
• AKOS015902316
• P-MENTHANE-3,8-DIOL [FHFI]
• SB84527
• (+/-)-P-MENTHANE-3,8-DIOL
• AS-57135
• cis-1,3,trans-1,4-p-Menthane-3,8-diol
• P-MENTHANE-3,8-DIOL, (+/-)-
• (1Alpha,3beta,4beta)-p-menthane-3,8-diol
• CS-0152685
• FT-0623947
• FT-0770276
• 2-(2-hydroxy-2-propyl)-5-methyl-cyclohexanol
• F20699
• EN300-6488765
• 2-Hydroxy-a,a,4-trimethylcyclohexanemethanol, 9CI
• p-Menthan-3,8-diol 100 microg/mL in Acetonitrile
• Q3359470
• W-106259
• 2-Hydroxy-alpha,alpha,4-trimethyl-Cyclohexanemethanol
• Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-
• 1-HYDROXY-5-METHYL-2-(1-METHYL-1-HYDROXYETHYL)CYCLOHEXANE

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	96.56%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.63%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.15%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.93%	91.11%
CHEMBL2581	P07339	Cathepsin D	82.30%	98.95%

Plants that contains it

• Corymbia citriodora
• Litsea cubeba

Cross-Links

• PubChem: 556998
• LOTUS: LTS0084018
• wikiData: Q3359470