Sotetsuflavone

Details

• Internal ID: d28cbffc-f213-42f1-bbd0-952f0b6ce671
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
• IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
• SMILES (Canonical): COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
• SMILES (Isomeric): COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
• InChI: InChI=1S/C31H20O10/c1-39-26-13-23(38)30-22(37)12-24(14-2-5-16(32)6-3-14)41-31(30)28(26)18-8-15(4-7-19(18)34)25-11-21(36)29-20(35)9-17(33)10-27(29)40-25/h2-13,32-35,38H,1H3
• InChI Key: OIFVLHZEBAXHPM-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₁H₂₀O₁₀
• Molecular Weight: 552.50 g/mol
• Exact Mass: 552.10564683 g/mol
• Topological Polar Surface Area (TPSA): 163.00 Ų
• XlogP: 5.40

Synonyms

• 2608-21-1
• Sotetsuflavon
• AL6OQW24CT
• 8-(5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
• 8-[3-(4-Oxo-5,7-dihydroxy-4H-1-benzopyran-2-yl)-6-hydroxyphenyl]-2-(4-hydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
• 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
• 8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one
• UNII-AL6OQW24CT
• 7'-O-Methylamentoflavone
• SCHEMBL4467051
• DTXSID501103517
• HY-N2199
• CS-5765
• 4H-1-BENZOPYRAN-4-ONE, 8-(5-(5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)-2-HYDROXYPHENYL)-5-HYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXY-
• 8-[5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
• 8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxy-phenyl]-5-hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chromen-4-one
• 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-hydroxy-phenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL4822	P56817	Beta-secretase 1	1580 nM	IC50	PMID: 20598535

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL242	Q92731	Estrogen receptor beta	98.51%	98.35%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.74%	91.11%
CHEMBL3194	P02766	Transthyretin	97.48%	90.71%
CHEMBL2581	P07339	Cathepsin D	96.60%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	96.38%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.93%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	94.96%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.50%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.38%	86.33%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	87.53%	98.11%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	86.84%	96.21%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	86.49%	95.78%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.09%	90.71%
CHEMBL1951	P21397	Monoamine oxidase A	85.32%	91.49%
CHEMBL301	P24941	Cyclin-dependent kinase 2	85.10%	91.23%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.73%	99.23%
CHEMBL3922	P50579	Methionine aminopeptidase 2	84.46%	97.28%
CHEMBL4208	P20618	Proteasome component C5	84.32%	90.00%
CHEMBL4630	O14757	Serine/threonine-protein kinase Chk1	84.15%	97.03%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	83.90%	86.92%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.53%	99.17%
CHEMBL1907	P15144	Aminopeptidase N	82.72%	93.31%
CHEMBL2535	P11166	Glucose transporter	82.41%	98.75%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	82.07%	91.71%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	81.72%	89.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.71%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	80.59%	94.73%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.12%	93.99%

Plants that contains it

• Amentotaxus yunnanensis
• Breonia chinensis
• Campylotropis hirtella
• Ceropegia dichotoma
• Crinum moorei
• Crotalaria candicans
• Cycas revoluta
• Dendrobium loddigesii
• Distephanus angulifolius
• Eucalyptus apodophylla
• Glycosmis macrophylla
• Gypsophila perfoliata
• Hypericum polyanthemum
• Juniperus drupacea
• Lophostemon confertus
• Mentha × gentilis
• Metasequoia glyptostroboides
• Ononis spinosa
• Orbivestus karaguensis
• Pentaclethra macrophylla
• Periploca sepium
• Pinalia japonica
• Plectranthus hereroensis
• Pterocaulon virgatum
• Rhodiola semenovii
• Salvia sessei
• Selaginella denticulata
• Selaginella pulvinata
• Selaginella tamariscina
• Sonneratia caseolaris
• Stephania zippeliana
• Torreya fargesii var. yunnanensis
• Veronica polita

Cross-Links

• PubChem: 5494868
• NPASS: NPC290830
• ChEMBL: CHEMBL450522
• LOTUS: LTS0096304
• wikiData: Q105192489