(6S)-6-tricosyloxan-2-one

Details

• Internal ID: e105d4bc-be68-4308-8843-24b7bd3fa441
• Taxonomy: Organoheterocyclic compounds > Lactones > Delta valerolactones
• IUPAC Name: (6S)-6-tricosyloxan-2-one
• InChI: InChI=1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-28(29)30-27/h27H,2-26H2,1H3/t27-/m0/s1
• InChI Key: GEDIPNYUUCCFOC-MHZLTWQESA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₅₄O₂
• Molecular Weight: 422.70 g/mol
• Exact Mass: 422.412380961 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 12.30

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	96.43%	98.95%
CHEMBL4462	Q8IXJ6	NAD-dependent deacetylase sirtuin 2	90.89%	90.24%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.80%	97.25%
CHEMBL230	P35354	Cyclooxygenase-2	90.31%	89.63%
CHEMBL2996	Q05655	Protein kinase C delta	88.56%	97.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.02%	97.09%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	86.80%	100.00%
CHEMBL5103	Q969S8	Histone deacetylase 10	86.43%	90.08%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	86.30%	91.81%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.18%	95.56%
CHEMBL5255	O00206	Toll-like receptor 4	85.53%	92.50%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.49%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.57%	96.09%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.30%	95.50%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.23%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.07%	100.00%

Plants that contains it

• Cerinthe minor

Cross-Links

• PubChem: 162934230
• LOTUS: LTS0210088
• wikiData: Q105007092