3,7-Dihydroxy-1-methoxyxanthone

Details

• Internal ID: a1f5756f-a767-4e9c-af3c-94672eb1b488
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: 3,7-dihydroxy-1-methoxyxanthen-9-one
• SMILES (Canonical): COC1=CC(=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O)O
• SMILES (Isomeric): COC1=CC(=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O)O
• InChI: InChI=1S/C14H10O5/c1-18-11-5-8(16)6-12-13(11)14(17)9-4-7(15)2-3-10(9)19-12/h2-6,15-16H,1H3
• InChI Key: FEJDNSHHJMWCDN-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₀O₅
• Molecular Weight: 258.23 g/mol
• Exact Mass: 258.05282342 g/mol
• Topological Polar Surface Area (TPSA): 76.00 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	96.91%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.97%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.70%	94.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.26%	89.00%
CHEMBL2581	P07339	Cathepsin D	90.85%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.64%	94.45%
CHEMBL2535	P11166	Glucose transporter	90.23%	98.75%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.70%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.76%	86.33%
CHEMBL3192	Q9BY41	Histone deacetylase 8	85.90%	93.99%
CHEMBL3194	P02766	Transthyretin	85.25%	90.71%
CHEMBL3401	O75469	Pregnane X receptor	81.85%	94.73%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.80%	89.62%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.60%	99.17%

Plants that contains it

• Hypericum monogynum
• Senna obtusifolia

Cross-Links

• PubChem: 86183347
• LOTUS: LTS0232537
• wikiData: Q104993992