6,7,11-Trihydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-b]xanthen-5-one

Details

• Internal ID: 125dccb8-4a0f-44c3-9afd-a7e073d738b2
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: 6,7,11-trihydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-b]xanthen-5-one
• InChI: InChI=1S/C20H16O6/c1-4-20(2,3)11-8-12(21)15(23)13-14(22)10-7-9-5-6-25-17(9)16(24)18(10)26-19(11)13/h4-8,21,23-24H,1H2,2-3H3
• InChI Key: VSBRZDVIDWVOEU-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₆O₆
• Molecular Weight: 352.30 g/mol
• Exact Mass: 352.09468823 g/mol
• Topological Polar Surface Area (TPSA): 100.00 Ų
• XlogP: 4.80

Synonyms

• BDBM50268298

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	99.09%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.33%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.17%	95.56%
CHEMBL2581	P07339	Cathepsin D	93.37%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.88%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	92.53%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.25%	89.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.35%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.25%	86.33%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	87.74%	89.34%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	86.73%	93.65%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.64%	90.71%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.94%	93.99%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	80.31%	94.42%

Plants that contains it

• Garcinia subelliptica

Cross-Links

• PubChem: 101681085
• LOTUS: LTS0034014
• wikiData: Q105292118