6-Hydroxy-10-propyloxecan-2-one

Details

• Internal ID: 41149546-0f1d-4875-a25f-3d6cd24f18b4
• Taxonomy: Organoheterocyclic compounds > Lactones
• IUPAC Name: 6-hydroxy-10-propyloxecan-2-one
• InChI: InChI=1S/C12H22O3/c1-2-5-11-8-3-6-10(13)7-4-9-12(14)15-11/h10-11,13H,2-9H2,1H3
• InChI Key: PPXGPMYYKWZILB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₂O₃
• Molecular Weight: 214.30 g/mol
• Exact Mass: 214.15689456 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 2.30

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
CHEMBL2581	P07339	Cathepsin D	95.30%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.20%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.14%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.51%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.87%	97.25%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	84.68%	92.62%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	84.31%	93.04%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.94%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.44%	95.89%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.13%	99.23%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 76516987
• LOTUS: LTS0223487
• wikiData: Q104195194