[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

Details

• Internal ID: 37b4e1d0-9648-48d9-9479-9e9804eb68d8
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Primary alcohols
• IUPAC Name: [(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
• SMILES (Canonical): CC1=CCC2C(CCCC2(C1CO)C)(C)C
• SMILES (Isomeric): CC1=CC[C@H]2[C@]([C@@H]1CO)(CCCC2(C)C)C
• InChI: InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m1/s1
• InChI Key: HMWSKUKBAWWOJL-NFAWXSAZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.90

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	94.68%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.14%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.22%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.49%	97.09%
CHEMBL1937	Q92769	Histone deacetylase 2	84.02%	94.75%
CHEMBL218	P21554	Cannabinoid CB1 receptor	83.48%	96.61%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.55%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.21%	100.00%
CHEMBL2581	P07339	Cathepsin D	81.41%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.39%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	80.23%	94.73%

Plants that contains it

• Mastigophora diclados

Cross-Links

• PubChem: 11863566
• LOTUS: LTS0063381
• wikiData: Q105030724