2,2,6,9-Tetramethyltetracyclo[6.2.1.01,6.07,9]undecan-10-ol

Details

• Internal ID: c3d17dbb-ea41-4392-9d36-129ad2a4e415
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: 2,2,6,9-tetramethyltetracyclo[6.2.1.01,6.07,9]undecan-10-ol
• SMILES (Canonical): CC1(CCCC2(C13CC4C2C4(C3O)C)C)C
• SMILES (Isomeric): CC1(CCCC2(C13CC4C2C4(C3O)C)C)C
• InChI: InChI=1S/C15H24O/c1-12(2)6-5-7-13(3)10-9-8-15(12,13)11(16)14(9,10)4/h9-11,16H,5-8H2,1-4H3
• InChI Key: VGVDZHYEJGNHEE-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O
• Molecular Weight: 220.35 g/mol
• Exact Mass: 220.182715385 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.80

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	93.50%	97.25%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	90.78%	82.69%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.34%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	84.93%	95.93%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.93%	100.00%
CHEMBL1951	P21397	Monoamine oxidase A	84.43%	91.49%
CHEMBL259	P32245	Melanocortin receptor 4	83.29%	95.38%
CHEMBL240	Q12809	HERG	83.28%	89.76%
CHEMBL1937	Q92769	Histone deacetylase 2	81.67%	94.75%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.52%	91.11%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	81.00%	94.78%

Plants that contains it

• Reboulia hemisphaerica

Cross-Links

• PubChem: 73209729
• LOTUS: LTS0073315
• wikiData: Q105286117