9H-Xanthen-9-one, 7-hydroxy-1-methoxy-

Details

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Internal ID ca9702fc-f167-4c35-a5ad-ada6eb4ce4f7
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 7-hydroxy-1-methoxyxanthen-9-one
SMILES (Canonical) COC1=CC=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O
SMILES (Isomeric) COC1=CC=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O
InChI InChI=1S/C14H10O4/c1-17-11-3-2-4-12-13(11)14(16)9-7-8(15)5-6-10(9)18-12/h2-7,15H,1H3
InChI Key FWBCCNVJDMEVSM-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C14H10O4
Molecular Weight 242.23 g/mol
Exact Mass 242.05790880 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 2.60

Synonyms

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9H-Xanthen-9-one, 7-hydroxy-1-methoxy-
244121-75-3
DTXSID40440800
BDBM50485133

2D Structure

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2D Structure of 9H-Xanthen-9-one, 7-hydroxy-1-methoxy-

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 96.63% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.02% 95.56%
CHEMBL2535 P11166 Glucose transporter 95.44% 98.75%
CHEMBL2581 P07339 Cathepsin D 94.68% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.46% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.93% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.77% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.29% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.31% 94.45%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.31% 93.99%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.44% 85.14%
CHEMBL1255126 O15151 Protein Mdm4 84.51% 90.20%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 83.70% 94.03%
CHEMBL3401 O75469 Pregnane X receptor 82.27% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.88% 99.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Polygala caudata

Cross-Links

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PubChem 10490332
LOTUS LTS0108371
wikiData Q82257215