4-Methoxy-2,3-methylendioxyxanthon

Details

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Internal ID 4069127c-f1ed-4c3c-b9c8-a22aa4c90374
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 4-methoxy-[1,3]dioxolo[4,5-b]xanthen-10-one
SMILES (Canonical) COC1=C2C(=CC3=C1OCO3)C(=O)C4=CC=CC=C4O2
SMILES (Isomeric) COC1=C2C(=CC3=C1OCO3)C(=O)C4=CC=CC=C4O2
InChI InChI=1S/C15H10O5/c1-17-15-13-9(6-11-14(15)19-7-18-11)12(16)8-4-2-3-5-10(8)20-13/h2-6H,7H2,1H3
InChI Key VVUQORLQHOKQDW-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H10O5
Molecular Weight 270.24 g/mol
Exact Mass 270.05282342 g/mol
Topological Polar Surface Area (TPSA) 54.00 Ų
XlogP 2.70

Synonyms

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4-Methoxy-2,3-methylendioxyxanthon
BDBM50485137

2D Structure

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2D Structure of 4-Methoxy-2,3-methylendioxyxanthon

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 99.30% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.85% 95.56%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 95.09% 96.77%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 92.43% 92.62%
CHEMBL2581 P07339 Cathepsin D 92.22% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.17% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.24% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.60% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.12% 93.99%
CHEMBL2535 P11166 Glucose transporter 87.84% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.65% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 85.98% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.68% 96.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.21% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.13% 94.45%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 81.72% 85.00%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 81.59% 80.96%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 80.54% 94.80%

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.
Kielmeyera rubriflora
Kielmeyera rupestris

Cross-Links

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PubChem 70687907
LOTUS LTS0075214
wikiData Q104199829