Euchrenone a5

Details

• Internal ID: 20d2f8dc-fa25-44c0-8115-3e0aa3d24b1b
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: 2-(2,2-dimethylchromen-6-yl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)O)C
• SMILES (Isomeric): CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)O)C
• InChI: InChI=1S/C25H26O4/c1-15(2)5-7-18-20(26)9-8-19-21(27)14-23(28-24(18)19)16-6-10-22-17(13-16)11-12-25(3,4)29-22/h5-6,8-13,23,26H,7,14H2,1-4H3
• InChI Key: VSUQUSVBOASRIA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₆O₄
• Molecular Weight: 390.50 g/mol
• Exact Mass: 390.18310931 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 5.40

Synonyms

• LMPK12140054

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	99.71%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	99.68%	91.49%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.99%	85.14%
CHEMBL2581	P07339	Cathepsin D	97.10%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.83%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.41%	89.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	92.23%	93.40%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.73%	97.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.28%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.87%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.29%	95.56%
CHEMBL4208	P20618	Proteasome component C5	87.52%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.78%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.84%	95.89%
CHEMBL3401	O75469	Pregnane X receptor	85.77%	94.73%
CHEMBL221	P23219	Cyclooxygenase-1	85.08%	90.17%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	82.01%	95.71%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.42%	96.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.00%	99.23%

Plants that contains it

• Euchresta formosana
• Glycyrrhiza glabra

Cross-Links

• PubChem: 14769498
• LOTUS: LTS0180128
• wikiData: Q105292551