3,8-Dihydroxy-1,4-dimethoxyxanthone

Details

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Internal ID 704b1303-a226-4e20-a2e3-7e0ad9ca7651
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 3,8-dihydroxy-1,4-dimethoxyxanthen-9-one
SMILES (Canonical) COC1=C2C(=C(C(=C1)O)OC)OC3=CC=CC(=C3C2=O)O
SMILES (Isomeric) COC1=C2C(=C(C(=C1)O)OC)OC3=CC=CC(=C3C2=O)O
InChI InChI=1S/C15H12O6/c1-19-10-6-8(17)14(20-2)15-12(10)13(18)11-7(16)4-3-5-9(11)21-15/h3-6,16-17H,1-2H3
InChI Key UTSXEYFPPZBRJQ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O6
Molecular Weight 288.25 g/mol
Exact Mass 288.06338810 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 2.70

Synonyms

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3,8-dihydroxy-1,4-dimethoxyxanthone

2D Structure

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2D Structure of 3,8-Dihydroxy-1,4-dimethoxyxanthone

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 96.20% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.35% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.98% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.45% 86.33%
CHEMBL2581 P07339 Cathepsin D 92.38% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.29% 93.99%
CHEMBL2535 P11166 Glucose transporter 91.15% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.46% 89.00%
CHEMBL1255126 O15151 Protein Mdm4 87.81% 90.20%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.62% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 85.58% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.03% 94.45%
CHEMBL3194 P02766 Transthyretin 83.63% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.51% 99.17%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 82.17% 94.03%

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.
Swertia chirayta

Cross-Links

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PubChem 86108288
LOTUS LTS0159168
wikiData Q105279072