(2S,4aR,5S,8aR)-5-(hydroxymethyl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-ol

Details

• Internal ID: 5007ebf6-bc54-4a4c-b92b-26977d952831
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives
• IUPAC Name: (2S,4aR,5S,8aR)-5-(hydroxymethyl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-ol
• InChI: InChI=1S/C15H26O2/c1-10-5-6-12-14(2,3)13(17)7-8-15(12,4)11(10)9-16/h5,11-13,16-17H,6-9H2,1-4H3/t11-,12-,13-,15-/m0/s1
• InChI Key: SYSFCGLKPBVTDQ-ABHRYQDASA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.193280068 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 2.40

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
CHEMBL3137262	O60341	LSD1/CoREST complex	91.44%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.40%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.61%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	87.47%	95.93%
CHEMBL218	P21554	Cannabinoid CB1 receptor	87.45%	96.61%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.72%	100.00%
CHEMBL221	P23219	Cyclooxygenase-1	86.35%	90.17%
CHEMBL1871	P10275	Androgen Receptor	83.45%	96.43%
CHEMBL2581	P07339	Cathepsin D	82.28%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.62%	95.89%
CHEMBL1937	Q92769	Histone deacetylase 2	80.32%	94.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162865876
• LOTUS: LTS0068058
• wikiData: Q105263756