Kenusanone J

Details

• Internal ID: 40a74208-6f64-433b-8bbe-7e8cdf0fb722
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: (2S)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
• SMILES (Canonical): CC1(CCC2=C(O1)C=C(C3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O)C
• SMILES (Isomeric): CC1(CCC2=C(O1)C=C(C3=C2O[C@@H](CC3=O)C4=C(C=C(C=C4)O)O)O)C
• InChI: InChI=1S/C20H20O6/c1-20(2)6-5-12-17(26-20)9-15(24)18-14(23)8-16(25-19(12)18)11-4-3-10(21)7-13(11)22/h3-4,7,9,16,21-22,24H,5-6,8H2,1-2H3/t16-/m0/s1
• InChI Key: ACVUCXHKACKHFE-INIZCTEOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₆
• Molecular Weight: 356.40 g/mol
• Exact Mass: 356.12598835 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 3.40

Synonyms

• (2S)-5,2',4'-Trihydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,8]flavanone
• LMPK12140523

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	99.04%	91.11%
CHEMBL2581	P07339	Cathepsin D	96.91%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.55%	96.09%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	94.90%	93.40%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.64%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.42%	94.45%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	91.76%	91.79%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.87%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.46%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.83%	99.23%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.35%	95.89%
CHEMBL217	P14416	Dopamine D2 receptor	85.62%	95.62%
CHEMBL2535	P11166	Glucose transporter	85.17%	98.75%
CHEMBL1929	P47989	Xanthine dehydrogenase	84.80%	96.12%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.69%	93.99%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.67%	100.00%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	83.51%	85.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.44%	90.71%
CHEMBL236	P41143	Delta opioid receptor	81.87%	99.35%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.34%	99.15%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.86%	97.09%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	80.02%	85.11%

Plants that contains it

• Sophora koreensis

Cross-Links

• PubChem: 42608049
• LOTUS: LTS0184307
• wikiData: Q76535180