7-(2-Hydroxypropan-2-yl)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol

Details

• Internal ID: 23481aae-0a0e-4419-9c3a-edd66ca95b5c
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 7-(2-hydroxypropan-2-yl)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol
• SMILES (Canonical): CC12CCC(CC1(CC(CC2)O)C)C(C)(C)O
• SMILES (Isomeric): CC12CCC(CC1(CC(CC2)O)C)C(C)(C)O
• InChI: InChI=1S/C15H28O2/c1-13(2,17)11-5-7-14(3)8-6-12(16)10-15(14,4)9-11/h11-12,16-17H,5-10H2,1-4H3
• InChI Key: VGSLLDHUYDRUSE-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: 3.00

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	97.43%	97.25%
CHEMBL5888	Q99558	Mitogen-activated protein kinase kinase kinase 14	91.99%	100.00%
CHEMBL1871	P10275	Androgen Receptor	89.97%	96.43%
CHEMBL1937	Q92769	Histone deacetylase 2	89.40%	94.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.30%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.52%	91.11%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	86.30%	91.03%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.00%	95.89%
CHEMBL234	P35462	Dopamine D3 receptor	83.93%	90.48%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.34%	100.00%
CHEMBL259	P32245	Melanocortin receptor 4	83.15%	95.38%
CHEMBL2996	Q05655	Protein kinase C delta	82.08%	97.79%
CHEMBL2581	P07339	Cathepsin D	80.13%	98.95%

Plants that contains it

• Solanum melongena

Cross-Links

• PubChem: 162946612
• LOTUS: LTS0090230
• wikiData: Q105285999