Dimethoxyxanthone

Details

• Internal ID: 6bb6cc94-7ca5-4b44-b031-6567c6e4ba4f
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: 1,2-dimethoxyxanthen-9-one
• SMILES (Canonical): COC1=C(C2=C(C=C1)OC3=CC=CC=C3C2=O)OC
• SMILES (Isomeric): COC1=C(C2=C(C=C1)OC3=CC=CC=C3C2=O)OC
• InChI: InChI=1S/C15H12O4/c1-17-12-8-7-11-13(15(12)18-2)14(16)9-5-3-4-6-10(9)19-11/h3-8H,1-2H3
• InChI Key: ONRNUIQDDGNBFL-UHFFFAOYSA-N
• Popularity: 11 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₂O₄
• Molecular Weight: 256.25 g/mol
• Exact Mass: 256.07355886 g/mol
• Topological Polar Surface Area (TPSA): 44.80 Ų
• XlogP: 2.90

Synonyms

• dimethoxyxanthone
• SCHEMBL5612997
• 1,2-dimethoxy-9h-xanthen-9-one
• BDBM50549276

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.12%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.83%	94.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	91.44%	93.99%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.48%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.20%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.48%	89.00%
CHEMBL2535	P11166	Glucose transporter	87.60%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	86.48%	90.20%
CHEMBL2581	P07339	Cathepsin D	86.18%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.82%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.15%	96.00%
CHEMBL4302	P08183	P-glycoprotein 1	81.46%	92.98%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	80.28%	97.33%

Plants that contains it

• Calophyllum brasiliense
• Calophyllum inophyllum

Cross-Links

• PubChem: 14189053
• LOTUS: LTS0134523
• wikiData: Q105195086