Talbotaflavone

Details

• Internal ID: cc7b5e02-6a3c-4f6c-b980-fcc4f5ee140a
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
• IUPAC Name: 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
• SMILES (Canonical): C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O
• InChI: InChI=1S/C30H20O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,27,29,31-36H
• InChI Key: YOGANETYFUQWIM-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₂₀O₁₀
• Molecular Weight: 540.50 g/mol
• Exact Mass: 540.10564683 g/mol
• Topological Polar Surface Area (TPSA): 174.00 Ų
• XlogP: 4.80

Synonyms

• BGH III Flavone
• Volkensiflavone
• (3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2,3-dihydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
• 27542-37-6
• [3,8'-bi-4H-1-Benzopyran]-4,4'-dione, 2,3-dihydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-
• CHEMBL63919
• SCHEMBL7620161
• NCGC00180863-01
• 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)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	98.51%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.54%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	94.13%	99.15%
CHEMBL308	P06493	Cyclin-dependent kinase 1	92.43%	91.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.40%	94.00%
CHEMBL2581	P07339	Cathepsin D	91.34%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	91.31%	99.23%
CHEMBL3194	P02766	Transthyretin	90.78%	90.71%
CHEMBL242	Q92731	Estrogen receptor beta	90.21%	98.35%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.88%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.44%	94.45%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	88.23%	85.11%
CHEMBL1951	P21397	Monoamine oxidase A	87.45%	91.49%
CHEMBL3401	O75469	Pregnane X receptor	85.48%	94.73%
CHEMBL4530	P00488	Coagulation factor XIII	84.19%	96.00%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	83.86%	89.23%
CHEMBL3038469	P24941	CDK2/Cyclin A	83.86%	91.38%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.41%	93.99%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.84%	97.09%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	81.73%	95.78%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.95%	86.33%

Plants that contains it

• Allanblackia stuhlmannii
• Clusia columnaris
• Endodesmia calophylloides
• Garcinia dulcis
• Garcinia gardneriana
• Garcinia indica
• Garcinia intermedia
• Garcinia lateriflora
• Garcinia livingstonei
• Garcinia macrophylla
• Garcinia multiflora
• Garcinia scortechinii
• Garcinia spicata
• Garcinia subelliptica
• Garcinia terpnophylla
• Garcinia volkensii
• Garcinia xanthochymus

Cross-Links

• PubChem: 5315272
• LOTUS: LTS0191877
• wikiData: Q105351292