Ostalactone B

Details

• Internal ID: e6e51b19-73a2-4a08-bba9-4b008239e13d
• Taxonomy: Organoheterocyclic compounds > Lactones > Beta propiolactones
• IUPAC Name: (1R,5S)-3-(dimethoxymethyl)-1-(3-methylbut-2-enyl)-6-oxabicyclo[3.2.0]hept-2-en-7-one
• InChI: InChI=1S/C14H20O4/c1-9(2)5-6-14-8-10(12(16-3)17-4)7-11(14)18-13(14)15/h5,8,11-12H,6-7H2,1-4H3/t11-,14+/m0/s1
• InChI Key: GACCQQMPKZGHGJ-SMDDNHRTSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₀O₄
• Molecular Weight: 252.31 g/mol
• Exact Mass: 252.13615911 g/mol
• Topological Polar Surface Area (TPSA): 44.80 Ų
• XlogP: 1.80

Synonyms

• Ostalactone B
• BDBM50232349

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.39%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.73%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.60%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.43%	91.11%
CHEMBL2581	P07339	Cathepsin D	89.67%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	86.38%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.84%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.37%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.12%	95.89%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.72%	99.23%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.31%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.48%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.03%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 46898596
• LOTUS: LTS0056573
• wikiData: Q105005298