Kievitone

Details

• Internal ID: cc6b9d91-59ec-48e6-819b-351cfe8f29cb
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones
• IUPAC Name: 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C
• SMILES (Isomeric): CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C
• InChI: InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3
• InChI Key: MERHMOCEIBOOMA-UHFFFAOYSA-N
• Popularity: 10 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): 107.00 Ų
• XlogP: 4.10

Synonyms

• 40105-60-0
• 96V5H76C4P
• 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-
• Vignatin
• UNII-96V5H76C4P
• 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
• Phaseolus substance II
• Flavanone + 4O, 1Prenyl
• SCHEMBL571650
• KIEVITONE, (+/-)-
• CHEBI:16832
• DTXSID60960555
• LMPK12050479
• 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• 3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
• HY-123351
• CS-0082546
• C01590
• Q27102101
• 3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI
• 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
• 4H-1-BENZOPYRAN-4-ONE, 3-(2,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5,7-DIHYDROXY-8-(3-METHYL-2-BUTEN-1-YL)-

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	98.98%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.99%	98.95%
CHEMBL226	P30542	Adenosine A1 receptor	94.50%	95.93%
CHEMBL3401	O75469	Pregnane X receptor	94.30%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.49%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.95%	95.56%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	90.29%	93.40%
CHEMBL1929	P47989	Xanthine dehydrogenase	89.72%	96.12%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.06%	86.33%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.83%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.81%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.88%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.77%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.72%	96.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.62%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.31%	97.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.24%	90.71%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	80.02%	85.00%

Plants that contains it

• Diphysa americana
• Lablab purpureus
• Phaseolus coccineus
• Phaseolus lunatus
• Phaseolus vulgaris
• Sophora leachiana
• Vigna mungo
• Vigna radiata

Cross-Links

• PubChem: 119269
• LOTUS: LTS0159333
• wikiData: Q27102101