(1S,2R,4S)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol

Details

• Internal ID: 425b7a6b-ee4a-4bfc-aca9-8a4573047605
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: (1S,2R,4S)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
• InChI: InChI=1S/C10H18O2/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h7-8,11-12H,3-6H2,1-2H3/t7-,8+,10-/m0/s1
• InChI Key: ULSDZTSFFJKLTM-XKSSXDPKSA-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: 2.10

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	95.72%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.52%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	94.35%	95.93%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.91%	97.09%
CHEMBL2996	Q05655	Protein kinase C delta	89.98%	97.79%
CHEMBL299	P17252	Protein kinase C alpha	87.64%	98.03%
CHEMBL218	P21554	Cannabinoid CB1 receptor	86.78%	96.61%
CHEMBL1871	P10275	Androgen Receptor	86.17%	96.43%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.89%	100.00%
CHEMBL221	P23219	Cyclooxygenase-1	83.59%	90.17%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.90%	95.50%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	81.65%	82.69%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.48%	91.11%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	81.10%	95.58%

Plants that contains it

• Artemisia laciniata

Cross-Links

• PubChem: 101317833
• LOTUS: LTS0082859
• wikiData: Q105275314