Kanzonol K

Details

• Internal ID: 378eb2c3-a4c0-4885-90fb-d457f908cdae
• Taxonomy: Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones
• IUPAC Name: 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)OC)O)C
• SMILES (Isomeric): CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)OC)O)C
• InChI: InChI=1S/C26H28O6/c1-14(2)6-8-17-20(27)11-10-16(24(17)28)19-13-32-22-12-21(31-5)18(9-7-15(3)4)25(29)23(22)26(19)30/h6-7,10-13,27-29H,8-9H2,1-5H3
• InChI Key: UWUOGPWSIVRQNM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₂₈O₆
• Molecular Weight: 436.50 g/mol
• Exact Mass: 436.18858861 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 6.50

Synonyms

• CHEBI:175519
• DTXSID901318449
• 2',4',5-Trihydroxy-7-methoxy-3',6-diprenylisoflavone
• 156281-30-0
• 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one

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	99.63%	91.11%
CHEMBL2581	P07339	Cathepsin D	97.64%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.94%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.65%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.98%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.11%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.04%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.67%	85.14%
CHEMBL3401	O75469	Pregnane X receptor	87.64%	94.73%
CHEMBL4208	P20618	Proteasome component C5	86.88%	90.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.04%	96.00%
CHEMBL1951	P21397	Monoamine oxidase A	82.44%	91.49%
CHEMBL2002	P12268	Inosine-5'-monophosphate dehydrogenase 2	81.51%	98.21%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.36%	94.45%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.30%	99.15%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	80.57%	98.11%
CHEMBL2535	P11166	Glucose transporter	80.17%	98.75%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	80.09%	95.17%

Plants that contains it

• Glycyrrhiza uralensis
• Taxus cuspidata

Cross-Links

• PubChem: 131753069
• LOTUS: LTS0121478
• wikiData: Q104995056