CID 14635519

Details

• Internal ID: 5187f2c8-9b24-4044-ada5-aa1a40ba72cf
• Taxonomy: Organoheterocyclic compounds > Oxepanes
• InChI: InChI=1S/C20H24O8/c1-11-6-14(21)17-9-27-20(24,19(17)10-26-19)4-3-18(17,23)16(11)7-13(28-15(16)22)12-2-5-25-8-12/h2,5,8,11,13-14,21,23-24H,3-4,6-7,9-10H2,1H3
• InChI Key: ZPHWIHFEZZOGHC-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₄O₈
• Molecular Weight: 392.40 g/mol
• Exact Mass: 392.14711772 g/mol
• Topological Polar Surface Area (TPSA): 122.00 Ų
• XlogP: -0.80

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.13%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.06%	89.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.17%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.88%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.78%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.59%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.49%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.55%	91.11%
CHEMBL3572	P11597	Cholesteryl ester transfer protein	87.48%	92.67%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.25%	99.23%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	82.77%	82.69%
CHEMBL2581	P07339	Cathepsin D	82.39%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.46%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.45%	94.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	80.69%	93.40%

Plants that contains it

• Teucrium pestalozzae

Cross-Links

• PubChem: 14635519
• LOTUS: LTS0074245
• wikiData: Q105380914