6-(6-Hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2,3-dihydropyran-4-one

Details

• Internal ID: e6f66f77-9366-4448-b5af-0e44eb946302
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones
• IUPAC Name: 6-(6-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2,3-dihydropyran-4-one
• InChI: InChI=1S/C16H22O3/c1-10-2-3-11-8-12(17)4-5-14(11)16(10)15-9-13(18)6-7-19-15/h2-3,9-12,14,16-17H,4-8H2,1H3
• InChI Key: LUYYXPOZFWRTEE-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₂O₃
• Molecular Weight: 262.34 g/mol
• Exact Mass: 262.15689456 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 1.80

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.63%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	94.26%	83.82%
CHEMBL1994	P08235	Mineralocorticoid receptor	92.27%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.50%	96.09%
CHEMBL1871	P10275	Androgen Receptor	91.41%	96.43%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.63%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.65%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.49%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.34%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.83%	85.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.72%	89.00%
CHEMBL2581	P07339	Cathepsin D	85.65%	98.95%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	82.34%	96.77%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	81.75%	98.46%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163064426
• LOTUS: LTS0091269
• wikiData: Q104171356