1,6-Dihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one

Details

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Internal ID 5928d4b8-55d5-4d5c-970a-ca9d3f337e38
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones
IUPAC Name 1,6-dihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H20O6/c1-10(2)5-6-11-14(24-3)9-15-16(17(11)22)18(23)12-7-8-13(21)20(25-4)19(12)26-15/h5,7-9,21-22H,6H2,1-4H3
InChI Key BSSWLUSDRBDPCW-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O6
Molecular Weight 356.40 g/mol
Exact Mass 356.12598835 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,6-Dihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one

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 99.58% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.06% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.03% 89.00%
CHEMBL2581 P07339 Cathepsin D 93.85% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.03% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.80% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.71% 93.99%
CHEMBL3401 O75469 Pregnane X receptor 90.03% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.00% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.50% 95.56%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 88.25% 98.11%
CHEMBL3194 P02766 Transthyretin 87.99% 90.71%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 86.23% 89.34%
CHEMBL1937 Q92769 Histone deacetylase 2 85.25% 94.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.22% 96.00%
CHEMBL1951 P21397 Monoamine oxidase A 85.02% 91.49%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.60% 99.15%
CHEMBL2535 P11166 Glucose transporter 83.51% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.45% 99.23%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 80.99% 80.78%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 80.44% 85.30%

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.
Garcinia cowa

Cross-Links

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PubChem 101741107
LOTUS LTS0207316
wikiData Q104945414