1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone

Details

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Internal ID a356adac-671a-4d19-9af0-48b602d60478
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one
SMILES (Canonical) COC1=CC(=C2C(=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC)O
SMILES (Isomeric) COC1=CC(=C2C(=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC)O
InChI InChI=1S/C17H16O8/c1-21-7-5-8(18)10-9(6-7)25-14-11(12(10)19)13(20)15(22-2)17(24-4)16(14)23-3/h5-6,18,20H,1-4H3
InChI Key PFIUFQOJAPBLTQ-UHFFFAOYSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16O8
Molecular Weight 348.30 g/mol
Exact Mass 348.08451746 g/mol
Topological Polar Surface Area (TPSA) 104.00 Ų
XlogP 2.70

Synonyms

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1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone
Demethyleustomin
1,8-Dihydroxy-2,3,4,6-tetramethoxy-9H-xanthen-9-one
9H-Xanthen-9-one, 1,8-dihydroxy-2,3,4,6-tetramethoxy-
Demethyl-eustomin
DTXSID201002980
1,8-dihydroxy-3,5,6,7-tetramethoxy-xanthone

2D Structure

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2D Structure of 1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone

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 98.58% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.77% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.16% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.40% 99.15%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.18% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.09% 89.00%
CHEMBL2581 P07339 Cathepsin D 88.64% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 87.50% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.14% 99.23%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.51% 99.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.35% 93.99%
CHEMBL3194 P02766 Transthyretin 85.84% 90.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.96% 86.33%
CHEMBL4208 P20618 Proteasome component C5 84.84% 90.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.67% 93.65%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 81.63% 94.42%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.32% 85.14%
CHEMBL2535 P11166 Glucose transporter 80.32% 98.75%

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.
Centaurium erythraea
Centaurium littorale
Chironia krebsii

Cross-Links

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PubChem 5487631
LOTUS LTS0015126
wikiData Q82997351