8-Hydroxymenthone

Details

• Internal ID: 6f8a276f-75ee-49c6-a029-b91f59fb20b6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: (2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
• SMILES (Canonical): CC1CCC(C(=O)C1)C(C)(C)O
• SMILES (Isomeric): C[C@H]1CC[C@@H](C(=O)C1)C(C)(C)O
• InChI: InChI=1S/C10H18O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3/t7-,8-/m0/s1
• InChI Key: QNZZGEDTDYWNFN-YUMQZZPRSA-N
• Popularity: 4 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): 37.30 Ų
• XlogP: 1.90

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	96.84%	97.25%
CHEMBL2581	P07339	Cathepsin D	92.43%	98.95%
CHEMBL1902	P62942	FK506-binding protein 1A	88.80%	97.05%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.58%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.26%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.10%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.27%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.30%	99.23%

Plants that contains it

• Agathosma betulina

Cross-Links

• PubChem: 13614904
• LOTUS: LTS0233997
• wikiData: Q105224752