3-Ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-5,7-diene

Details

• Internal ID: 79cb7cbe-7ce0-478c-90c9-91370baaa5de
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradeca-5,7-diene
• InChI: InChI=1S/C17H24O3/c1-5-18-17-10-16-14(20-16)7-6-12(3)15(16,4)8-13(17)11(2)9-19-17/h8-9,12,14H,5-7,10H2,1-4H3
• InChI Key: IRCHDBBZFPRAIU-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₄O₃
• Molecular Weight: 276.40 g/mol
• Exact Mass: 276.17254462 g/mol
• Topological Polar Surface Area (TPSA): 31.00 Ų
• XlogP: 2.40

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.07%	96.09%
CHEMBL2996	Q05655	Protein kinase C delta	91.66%	97.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.76%	97.09%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	90.39%	94.80%
CHEMBL2581	P07339	Cathepsin D	88.75%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.79%	95.56%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	83.68%	85.30%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.45%	94.00%
CHEMBL3492	P49721	Proteasome Macropain subunit	83.03%	90.24%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	82.74%	92.68%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.72%	95.89%
CHEMBL221	P23219	Cyclooxygenase-1	82.03%	90.17%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	81.72%	86.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.84%	100.00%

Plants that contains it

• Ligularia cyathiceps

Cross-Links

• PubChem: 162991736
• LOTUS: LTS0022843
• wikiData: Q105118765