6-Prenyleriodictyol

Details

• Internal ID: 57d2eaff-b519-4b91-8527-52d1545d25b9
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
• SMILES (Canonical): CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=C(C=C3)O)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=C(C=C3)O)O)O)C
• InChI: InChI=1S/C20H20O6/c1-10(2)3-5-12-14(22)8-18-19(20(12)25)16(24)9-17(26-18)11-4-6-13(21)15(23)7-11/h3-4,6-8,17,21-23,25H,5,9H2,1-2H3
• InChI Key: KBEFFXBSHFUQLT-UHFFFAOYSA-N
• Popularity: 1 reference 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: 4.00

Synonyms

• SCHEMBL1170837
• CHEMBL4249153
• LMPK12140395

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	99.68%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	95.70%	91.49%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.92%	94.45%
CHEMBL2581	P07339	Cathepsin D	94.86%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.12%	85.14%
CHEMBL3401	O75469	Pregnane X receptor	91.71%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.82%	89.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	88.96%	92.68%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.25%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.08%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.01%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.18%	90.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.73%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.67%	86.33%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.14%	100.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.88%	99.15%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.92%	99.23%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	81.00%	93.40%
CHEMBL3004	P33527	Multidrug resistance-associated protein 1	80.87%	96.37%
CHEMBL4208	P20618	Proteasome component C5	80.34%	90.00%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	80.21%	83.10%

Plants that contains it

• Agnorhiza invenusta
• Glycyrrhiza uralensis
• Wyethia angustifolia
• Wyethia glabra
• Wyethia helenioides
• Wyethia mollis

Cross-Links

• PubChem: 11727986
• LOTUS: LTS0273031
• wikiData: Q105138136