(1R,2S,4R,8S)-p-Menthane-2,8,9-triol

Details

• Internal ID: 711db8c6-af7b-4ccc-9276-19312dbad6bf
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: (2S)-2-[(1R,3S,4R)-3-hydroxy-4-methylcyclohexyl]propane-1,2-diol
• SMILES (Canonical): CC1CCC(CC1O)C(C)(CO)O
• SMILES (Isomeric): C[C@@H]1CC[C@H](C[C@@H]1O)[C@@](C)(CO)O
• InChI: InChI=1S/C10H20O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h7-9,11-13H,3-6H2,1-2H3/t7-,8-,9+,10-/m1/s1
• InChI Key: QOYJDVFOAJUXAR-DOLQZWNJSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₂₀O₃
• Molecular Weight: 188.26 g/mol
• Exact Mass: 188.14124450 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 0.40

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	97.64%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.73%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.83%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	91.40%	95.93%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.58%	85.14%
CHEMBL2581	P07339	Cathepsin D	86.72%	98.95%
CHEMBL206	P03372	Estrogen receptor alpha	85.69%	97.64%
CHEMBL2996	Q05655	Protein kinase C delta	84.60%	97.79%
CHEMBL2664	P23526	Adenosylhomocysteinase	81.92%	86.67%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.93%	91.11%

Plants that contains it

• Carum carvi

Cross-Links

• PubChem: 21593209
• NPASS: NPC117381