8-(4-Hydroxy-3-methylbutoxy)-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one

Details

• Internal ID: ad78b721-4744-4885-85d0-aac8e8a23ce7
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives
• IUPAC Name: 8-(4-hydroxy-3-methylbutoxy)-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
• InChI: InChI=1S/C20H26O6/c1-13(2)7-9-24-16-11-17(23-4)20(25-10-8-14(3)12-21)19-15(16)5-6-18(22)26-19/h5-7,11,14,21H,8-10,12H2,1-4H3
• InChI Key: AMNCEBXQVYORQI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₆O₆
• Molecular Weight: 362.40 g/mol
• Exact Mass: 362.17293854 g/mol
• Topological Polar Surface Area (TPSA): 74.20 Ų
• XlogP: 3.80

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.42%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.62%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.64%	99.17%
CHEMBL2581	P07339	Cathepsin D	94.45%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.95%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	90.11%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.32%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.97%	96.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.08%	89.00%
CHEMBL2535	P11166	Glucose transporter	86.19%	98.75%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.96%	90.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.57%	96.09%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	81.74%	94.03%

Plants that contains it

• Artemisia armeniaca

Cross-Links

• PubChem: 14841899
• LOTUS: LTS0074041
• wikiData: Q104914757