2-[4-(Hydroxymethyl)cyclohexyl]-6-methylhept-5-en-2-ol

Details

• Internal ID: 235b41e5-3c87-41a1-8d6f-56bb28580382
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 2-[4-(hydroxymethyl)cyclohexyl]-6-methylhept-5-en-2-ol
• SMILES (Canonical): CC(=CCCC(C)(C1CCC(CC1)CO)O)C
• SMILES (Isomeric): CC(=CCCC(C)(C1CCC(CC1)CO)O)C
• InChI: InChI=1S/C15H28O2/c1-12(2)5-4-10-15(3,17)14-8-6-13(11-16)7-9-14/h5,13-14,16-17H,4,6-11H2,1-3H3
• InChI Key: HRLGIVKHHDZZSO-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₈O₂
• Molecular Weight: 240.38 g/mol
• Exact Mass: 240.208930132 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.10

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	94.60%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.79%	97.09%
CHEMBL226	P30542	Adenosine A1 receptor	89.28%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.25%	96.09%
CHEMBL2581	P07339	Cathepsin D	87.72%	98.95%
CHEMBL237	P41145	Kappa opioid receptor	85.07%	98.10%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.06%	100.00%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.10%	95.50%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	80.18%	91.03%

Plants that contains it

• Baccharis latifolia

Cross-Links

• PubChem: 14262637
• LOTUS: LTS0132296
• wikiData: Q105032718