(2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one

Details

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Internal ID 1973d10f-519f-4721-b435-f9fd848d7173
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name (2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H16O6/c1-18(2,22)13-6-9-12(23-13)7-11(20)14-15(21)8-4-3-5-10(19)16(8)24-17(9)14/h3-5,7,13,19-20,22H,6H2,1-2H3/t13-/m1/s1
InChI Key QOMATUMHCQRUDT-CYBMUJFWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H16O6
Molecular Weight 328.30 g/mol
Exact Mass 328.09468823 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro[2,3-c]xanthen-6-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 98.82% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.86% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 95.22% 91.49%
CHEMBL2581 P07339 Cathepsin D 95.17% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.33% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 92.02% 94.73%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.42% 93.99%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.27% 94.45%
CHEMBL217 P14416 Dopamine D2 receptor 89.70% 95.62%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.19% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.12% 99.23%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.73% 85.14%
CHEMBL2535 P11166 Glucose transporter 87.08% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.99% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.72% 95.89%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.35% 93.65%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.36% 97.25%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.48% 92.62%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.48% 100.00%
CHEMBL3384 Q16512 Protein kinase N1 82.26% 80.71%

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.
Cratoxylum sumatranum

Cross-Links

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PubChem 163191216
LOTUS LTS0133391
wikiData Q105224988