2,7-Dihydroxy-1,8-dimethoxyxanthen-9-one

Details

• Internal ID: f2107724-db93-407d-a615-41b4f282dd19
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: 2,7-dihydroxy-1,8-dimethoxyxanthen-9-one
• SMILES (Canonical): COC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3OC)O)O
• SMILES (Isomeric): COC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3OC)O)O
• InChI: InChI=1S/C15H12O6/c1-19-14-7(16)3-5-9-11(14)13(18)12-10(21-9)6-4-8(17)15(12)20-2/h3-6,16-17H,1-2H3
• InChI Key: GIYSXMCIDDSAGA-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: 2.20

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	97.77%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.06%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.81%	94.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.68%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.16%	99.23%
CHEMBL3192	Q9BY41	Histone deacetylase 8	85.82%	93.99%
CHEMBL2581	P07339	Cathepsin D	85.55%	98.95%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	84.91%	80.78%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.57%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.06%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.91%	86.33%

Plants that contains it

• Calophyllum membranaceum

Cross-Links

• PubChem: 101992985
• LOTUS: LTS0126021
• wikiData: Q105009272