(+-)-5-Deoxykievitone

Details

• Internal ID: 15c01709-b452-4aca-8bbd-e572309310e6
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones
• IUPAC Name: 3-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C=CC2=C1OCC(C2=O)C3=C(C=C(C=C3)O)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C=CC2=C1OCC(C2=O)C3=C(C=C(C=C3)O)O)O)C
• InChI: InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-15-19(24)16(10-25-20(14)15)13-6-4-12(21)9-18(13)23/h3-4,6-9,16,21-23H,5,10H2,1-2H3
• InChI Key: JIJYZALGIIQXKE-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₀O₅
• Molecular Weight: 340.40 g/mol
• Exact Mass: 340.13107373 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: 3.90

Synonyms

• (+-)-5-Deoxykievitone
• (+/-)-5-Deoxykievitone
• 74161-24-3
• UNII-01J606C35G
• 01J606C35G
• CHEBI:63
• 4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-8-(3-methyl-2-butenyl)-
• 3-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SCHEMBL1546594
• CHEMBL3120668
• DTXSID80331945
• Isoflavanone base + 3O, 1Prenyl
• LMPK12050458
• 2',4',7-trihydroxy-8-prenylisoflavanone
• Q27105218

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	98.97%	91.11%
CHEMBL2581	P07339	Cathepsin D	98.39%	98.95%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	94.61%	93.40%
CHEMBL3401	O75469	Pregnane X receptor	92.50%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.43%	95.56%
CHEMBL226	P30542	Adenosine A1 receptor	92.31%	95.93%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.29%	89.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	91.69%	96.12%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.63%	86.33%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.75%	100.00%
CHEMBL1951	P21397	Monoamine oxidase A	87.57%	91.49%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.42%	99.15%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.10%	99.17%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.92%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.18%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.65%	97.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.82%	90.71%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	80.71%	85.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.46%	99.23%

Plants that contains it

• Phaseolus lunatus
• Phaseolus vulgaris
• Vigna radiata

Cross-Links

• PubChem: 442770
• LOTUS: LTS0250968
• wikiData: Q27105218