5-Hydroxy-2-methoxyxanthone

Details

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Internal ID 377ce691-a4e4-40b7-bc94-4d1ff9b4842a
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 5-hydroxy-2-methoxyxanthen-9-one
SMILES (Canonical) COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3O
SMILES (Isomeric) COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3O
InChI InChI=1S/C14H10O4/c1-17-8-5-6-12-10(7-8)13(16)9-3-2-4-11(15)14(9)18-12/h2-7,15H,1H3
InChI Key HEOWOJWZMKMTLX-UHFFFAOYSA-N
Popularity 2 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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141766-17-8
DTXSID60707301
5-HYDROXY-2-METHOXY-9H-XANTHEN-9-ONE

2D Structure

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2D Structure of 5-Hydroxy-2-methoxyxanthone

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 99.18% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.76% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.19% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 94.37% 99.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.50% 99.15%
CHEMBL2581 P07339 Cathepsin D 93.01% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.69% 93.99%
CHEMBL2535 P11166 Glucose transporter 91.98% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 89.84% 94.73%
CHEMBL1907 P15144 Aminopeptidase N 88.26% 93.31%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.63% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.22% 86.33%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.56% 93.65%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.47% 99.17%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.23% 92.62%
CHEMBL1951 P21397 Monoamine oxidase A 82.03% 91.49%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.43% 100.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.10% 95.50%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 80.68% 92.67%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.42% 94.45%

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.
Hypericum hookerianum
Hypericum roeperianum

Cross-Links

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PubChem 53873221
LOTUS LTS0044886
wikiData Q82641034