9-Oxo-9H-xanthene-1,3,6,7-tetrayl tetraacetate

Details

• Internal ID: c8db2eea-5e32-4967-b430-d5fcb30cc157
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: (1,6,7-triacetyloxy-9-oxoxanthen-3-yl) acetate
• InChI: InChI=1S/C21H16O10/c1-9(22)27-13-5-18(30-12(4)25)20-19(6-13)31-15-8-17(29-11(3)24)16(28-10(2)23)7-14(15)21(20)26/h5-8H,1-4H3
• InChI Key: TWKVIVQREBQLIB-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-1,3,6,7-tetrayl tetraacetate
• CHEMBL478778
• DTXSID20659574

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	96.76%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.46%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.22%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.17%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	88.44%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.97%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.64%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.55%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.04%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.68%	86.33%

Plants that contains it

• Tripterospermum lanceolatum

Cross-Links

• PubChem: 44584697
• LOTUS: LTS0030724
• wikiData: Q82576317