1,3-Dihydroxy-2,4-dimethoxy-9h-xanthen-9-one

Details

• Internal ID: 37716361-bea8-40bf-869d-c81953612fa2
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: 1,3-dihydroxy-2,4-dimethoxyxanthen-9-one
• SMILES (Canonical): COC1=C(C(=C2C(=C1O)C(=O)C3=CC=CC=C3O2)OC)O
• SMILES (Isomeric): COC1=C(C(=C2C(=C1O)C(=O)C3=CC=CC=C3O2)OC)O
• InChI: InChI=1S/C15H12O6/c1-19-14-11(17)9-10(16)7-5-3-4-6-8(7)21-13(9)15(20-2)12(14)18/h3-6,17-18H,1-2H3
• InChI Key: UAPZTWQFZRZQLU-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.25 g/mol
• Exact Mass: 288.06338810 g/mol
• Topological Polar Surface Area (TPSA): 85.20 Ų
• XlogP: 2.70

Synonyms

There are no found synonyms.

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	99.25%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.13%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	94.04%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.15%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.02%	89.00%
CHEMBL2581	P07339	Cathepsin D	90.52%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.13%	94.45%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	84.23%	94.23%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.11%	93.99%
CHEMBL2535	P11166	Glucose transporter	82.79%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.20%	86.33%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	81.13%	93.65%

Plants that contains it

• Cratoxylum cochinchinense

Cross-Links

• PubChem: 90852378
• LOTUS: LTS0216390
• wikiData: Q105268990