1,6-Dihydroxy-3,7-dimethoxyxanthone

Details

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Internal ID 18f95bc6-2bb7-494f-a9df-a9abc04c8837
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 1,6-dihydroxy-3,7-dimethoxyxanthen-9-one
SMILES (Canonical) COC1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)OC)O)O
SMILES (Isomeric) COC1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)OC)O)O
InChI InChI=1S/C15H12O6/c1-19-7-3-10(17)14-13(4-7)21-11-6-9(16)12(20-2)5-8(11)15(14)18/h3-6,16-17H,1-2H3
InChI Key FLTBKCJDQMNPTA-UHFFFAOYSA-N
Popularity 1 reference 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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SCHEMBL4097479

2D Structure

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2D Structure of 1,6-Dihydroxy-3,7-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 96.96% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.32% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.71% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.73% 85.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.71% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.67% 93.99%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.94% 99.15%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.80% 92.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.63% 99.17%
CHEMBL2535 P11166 Glucose transporter 87.27% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.98% 94.45%
CHEMBL2581 P07339 Cathepsin D 85.98% 98.95%
CHEMBL3194 P02766 Transthyretin 85.66% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.64% 99.23%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.81% 93.65%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.18% 86.33%

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.
Dalbergia odorifera
Iris nigricans
Polygala sibirica
Polygala tenuifolia

Cross-Links

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PubChem 5316766
NPASS NPC134178
LOTUS LTS0175349
wikiData Q104997486