2-(Hydroxymethyl)-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol

Details

• Internal ID: 9f712b55-1744-4731-9d1b-68f6cc6978c6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: 2-(hydroxymethyl)-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol
• SMILES (Canonical): CC(C)C12CCC(C1C2)(CO)O
• SMILES (Isomeric): CC(C)C12CCC(C1C2)(CO)O
• InChI: InChI=1S/C10H18O2/c1-7(2)9-3-4-10(12,6-11)8(9)5-9/h7-8,11-12H,3-6H2,1-2H3
• InChI Key: YFVHFVBKJFHSAE-UHFFFAOYSA-N
• Popularity: 0 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: 1.10

Synonyms

• 1127-22-6

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	97.92%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.62%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.40%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.18%	91.11%
CHEMBL299	P17252	Protein kinase C alpha	87.75%	98.03%
CHEMBL218	P21554	Cannabinoid CB1 receptor	87.39%	96.61%
CHEMBL221	P23219	Cyclooxygenase-1	86.27%	90.17%
CHEMBL2996	Q05655	Protein kinase C delta	85.99%	97.79%
CHEMBL226	P30542	Adenosine A1 receptor	85.87%	95.93%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	82.72%	92.86%

Plants that contains it

• Artemisia ludoviciana

Cross-Links

• PubChem: 14829021
• LOTUS: LTS0054363
• wikiData: Q105347822