4-Hydroxy-2,3,6-trimethoxyxanthone

Details

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Internal ID e5e7e730-c27a-4616-9bb1-4126e75fda76
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 4-hydroxy-2,3,6-trimethoxyxanthen-9-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H14O6/c1-19-8-4-5-9-11(6-8)22-15-10(13(9)17)7-12(20-2)16(21-3)14(15)18/h4-7,18H,1-3H3
InChI Key ZIVWFVSJXMVCNV-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O6
Molecular Weight 302.28 g/mol
Exact Mass 302.07903816 g/mol
Topological Polar Surface Area (TPSA) 74.20 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Hydroxy-2,3,6-trimethoxyxanthone

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 99.38% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.02% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.97% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.78% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.14% 99.15%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.80% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.47% 99.17%
CHEMBL2535 P11166 Glucose transporter 87.06% 98.75%
CHEMBL1907 P15144 Aminopeptidase N 86.31% 93.31%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.31% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.57% 93.99%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.06% 99.23%
CHEMBL2581 P07339 Cathepsin D 83.69% 98.95%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 83.62% 80.78%
CHEMBL4208 P20618 Proteasome component C5 83.10% 90.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.37% 92.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.20% 96.00%

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.
Hypericum reflexum

Cross-Links

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PubChem 14757911
LOTUS LTS0059182
wikiData Q105377568