1,6-Dihydroxy-7,8-dimethoxyxanthone

Details

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Internal ID 558c9277-354c-4bd9-8bf2-e770c17ac3fa
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 3,8-dihydroxy-1,2-dimethoxyxanthen-9-one
SMILES (Canonical) COC1=C(C2=C(C=C1O)OC3=CC=CC(=C3C2=O)O)OC
SMILES (Isomeric) COC1=C(C2=C(C=C1O)OC3=CC=CC(=C3C2=O)O)OC
InChI InChI=1S/C15H12O6/c1-19-14-8(17)6-10-12(15(14)20-2)13(18)11-7(16)4-3-5-9(11)21-10/h3-6,16-17H,1-2H3
InChI Key WGHXAVBNSLELQQ-UHFFFAOYSA-N
Popularity 6 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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1,6-dihydroxy-7,8-dimethoxyxanthone
3,8-Dihydroxy-1,2-dimethoxy-9H-xanthen-9-one
34211-52-4

2D Structure

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2D Structure of 1,6-Dihydroxy-7,8-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 96.78% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.70% 93.99%
CHEMBL2581 P07339 Cathepsin D 93.59% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.97% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.57% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.68% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.11% 89.00%
CHEMBL4040 P28482 MAP kinase ERK2 87.08% 83.82%
CHEMBL2535 P11166 Glucose transporter 86.76% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.85% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.95% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 83.61% 94.73%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.76% 99.15%

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.
Bonnetia paniculata
Calophyllum apetalum
Calophyllum brasiliense
Calophyllum teysmannii
Cratoxylum cochinchinense
Polygala nyikensis

Cross-Links

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PubChem 14630572
LOTUS LTS0055171
wikiData Q105304511