Exiguaflavanone K

Details

• Internal ID: e856a460-71a9-41ac-a43c-5d32a247faa4
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones
• IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC(=C(C=C3)O)OC)C
• SMILES (Isomeric): CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=CC(=C(C=C3)O)OC)C
• InChI: InChI=1S/C21H22O6/c1-11(2)4-6-13-15(23)9-16(24)20-17(25)10-18(27-21(13)20)12-5-7-14(22)19(8-12)26-3/h4-5,7-9,18,22-24H,6,10H2,1-3H3
• InChI Key: NSGZYFCJQNNTFB-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₂O₆
• Molecular Weight: 370.40 g/mol
• Exact Mass: 370.14163842 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 4.30

Synonyms

• (+/-)-Exiguaflavanone K
• CHEMBL486858
• SCHEMBL8823223
• LMPK12140442

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	99.50%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.84%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.40%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.33%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.84%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.61%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.71%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.17%	97.09%
CHEMBL3401	O75469	Pregnane X receptor	88.31%	94.73%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.15%	95.89%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.80%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.47%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.35%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.37%	99.15%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	83.15%	86.92%
CHEMBL2535	P11166	Glucose transporter	82.68%	98.75%
CHEMBL4208	P20618	Proteasome component C5	82.60%	90.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.59%	92.62%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.16%	96.95%

Plants that contains it

• Flourensia riparia
• Sophora exigua
• Wyethia mollis

Cross-Links

• PubChem: 11036041
• LOTUS: LTS0188249
• wikiData: Q105185031