cis-p-Menth-4-en-1,2-diol

Details

• Internal ID: a7ce7226-12fc-4592-9aa0-122b135ccec8
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
• IUPAC Name: (1S,2R)-1-methyl-4-propan-2-ylcyclohex-4-ene-1,2-diol
• SMILES (Canonical): CC(C)C1=CCC(C(C1)O)(C)O
• SMILES (Isomeric): CC(C)C1=CC[C@]([C@@H](C1)O)(C)O
• InChI: InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h4,7,9,11-12H,5-6H2,1-3H3/t9-,10+/m1/s1
• InChI Key: JXEBWOKMCCSZAX-ZJUUUORDSA-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: 1.00

Synonyms

• JXEBWOKMCCSZAX-ZJUUUORDSA-N

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.76%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.85%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	92.62%	83.82%
CHEMBL221	P23219	Cyclooxygenase-1	92.40%	90.17%
CHEMBL2581	P07339	Cathepsin D	89.72%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.87%	97.25%
CHEMBL3359	P21462	Formyl peptide receptor 1	85.32%	93.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.28%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.12%	94.45%
CHEMBL2996	Q05655	Protein kinase C delta	81.76%	97.79%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.63%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.09%	97.09%

Plants that contains it

• Boswellia sacra

Cross-Links

• PubChem: 91748716
• LOTUS: LTS0159961
• wikiData: Q105136539