2,8-Dihydroxy-9-oxo-9h-xanthene-6-carboxylic acid

Details

• Internal ID: 23301b30-b7e5-48dc-b5c9-84bf9f0ca550
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: 1,7-dihydroxy-9-oxoxanthene-3-carboxylic acid
• SMILES (Canonical): C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)C(=O)O)O
• SMILES (Isomeric): C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)C(=O)O)O
• InChI: InChI=1S/C14H8O6/c15-7-1-2-10-8(5-7)13(17)12-9(16)3-6(14(18)19)4-11(12)20-10/h1-5,15-16H,(H,18,19)
• InChI Key: USCSVMOJRMFVQL-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₈O₆
• Molecular Weight: 272.21 g/mol
• Exact Mass: 272.03208797 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 2.30

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
CHEMBL3194	P02766	Transthyretin	95.43%	90.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.48%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.74%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.03%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.40%	95.56%
CHEMBL1811	P34995	Prostanoid EP1 receptor	90.99%	95.71%
CHEMBL2581	P07339	Cathepsin D	88.73%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.46%	86.33%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	85.22%	94.42%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.15%	99.17%
CHEMBL2535	P11166	Glucose transporter	85.14%	98.75%
CHEMBL1951	P21397	Monoamine oxidase A	80.62%	91.49%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 60208837
• LOTUS: LTS0069740
• wikiData: Q105278134