Euchrenone b7

Details

• Internal ID: 23dbc518-aace-45e5-9196-2ffdfda4cd4f
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones
• IUPAC Name: 5-hydroxy-6-(3-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
• SMILES (Canonical): CC1(C=CC2=C3C(=C(C(=C2O1)CCC(C)(C)O)O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C
• SMILES (Isomeric): CC1(C=CC2=C3C(=C(C(=C2O1)CCC(C)(C)O)O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C
• InChI: InChI=1S/C25H26O6/c1-24(2,29)11-9-16-20(27)19-21(28)18(14-5-7-15(26)8-6-14)13-30-23(19)17-10-12-25(3,4)31-22(16)17/h5-8,10,12-13,26-27,29H,9,11H2,1-4H3
• InChI Key: BPXHIAACGCIWGL-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₆O₆
• Molecular Weight: 422.50 g/mol
• Exact Mass: 422.17293854 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 4.50

Synonyms

• LMPK12050217

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
CHEMBL2581	P07339	Cathepsin D	98.66%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.57%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.33%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.47%	86.33%
CHEMBL242	Q92731	Estrogen receptor beta	91.77%	98.35%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.13%	94.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	88.38%	86.92%
CHEMBL3922	P50579	Methionine aminopeptidase 2	87.08%	97.28%
CHEMBL3401	O75469	Pregnane X receptor	86.89%	94.73%
CHEMBL1937	Q92769	Histone deacetylase 2	86.05%	94.75%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	85.74%	91.71%
CHEMBL2996	Q05655	Protein kinase C delta	85.62%	97.79%
CHEMBL1907	P15144	Aminopeptidase N	82.99%	93.31%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.16%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.89%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.63%	94.45%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.59%	99.15%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	81.02%	90.93%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.66%	97.14%
CHEMBL4051	P13569	Cystic fibrosis transmembrane conductance regulator	80.30%	95.71%
CHEMBL3232685	O00257	E3 SUMO-protein ligase CBX4	80.06%	93.00%

Plants that contains it

• Euchresta horsfieldii

Cross-Links

• PubChem: 14704592
• LOTUS: LTS0033516
• wikiData: Q104944202