9-oxo-9H-xanthene-3,4,5,6-tetrayl tetraacetate

Details

• Internal ID: 29adb8e1-086a-4708-87a5-438bd873d3a2
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: (4,5,6-triacetyloxy-9-oxoxanthen-3-yl) acetate
• InChI: InChI=1S/C21H16O10/c1-9(22)27-15-7-5-13-17(26)14-6-8-16(28-10(2)23)21(30-12(4)25)19(14)31-18(13)20(15)29-11(3)24/h5-8H,1-4H3
• InChI Key: GTOUZRBAQUHKJV-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₁₆O₁₀
• Molecular Weight: 428.30 g/mol
• Exact Mass: 428.07434670 g/mol
• Topological Polar Surface Area (TPSA): 132.00 Ų
• XlogP: 2.00

Synonyms

• 9-oxo-9H-xanthene-3,4,5,6-tetrayl tetraacetate
• CHEMBL478777
• DTXSID60659573

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	91.69%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.57%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.59%	89.00%
CHEMBL2581	P07339	Cathepsin D	88.44%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.39%	95.56%
CHEMBL4040	P28482	MAP kinase ERK2	87.92%	83.82%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.95%	94.00%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.14%	93.65%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.37%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.87%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.35%	99.17%

Plants that contains it

• Tripterospermum lanceolatum

Cross-Links

• PubChem: 44584696
• LOTUS: LTS0179358
• wikiData: Q82576315