1-(5-Methoxy-2,2,8,8-tetramethylpyrano[2,3-h]chromen-6-yl)ethanone

Details

• Internal ID: 78701000-14d8-46d3-a08d-f3a75509ecb6
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes
• IUPAC Name: 1-(5-methoxy-2,2,8,8-tetramethylpyrano[2,3-h]chromen-6-yl)ethanone
• InChI: InChI=1S/C19H22O4/c1-11(20)14-16(21-6)12-7-9-18(2,3)22-15(12)13-8-10-19(4,5)23-17(13)14/h7-10H,1-6H3
• InChI Key: FQYUZMHMLIJCEP-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₂O₄
• Molecular Weight: 314.40 g/mol
• Exact Mass: 314.15180918 g/mol
• Topological Polar Surface Area (TPSA): 44.80 Ų
• XlogP: 3.40

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.07%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.03%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.41%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.88%	85.14%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	87.86%	85.30%
CHEMBL340	P08684	Cytochrome P450 3A4	83.46%	91.19%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	82.09%	96.77%
CHEMBL4208	P20618	Proteasome component C5	81.94%	90.00%

Plants that contains it

• Melicope erromangensis

Cross-Links

• PubChem: 23624468
• LOTUS: LTS0063573
• wikiData: Q105000006