5,8-dihydroxy-10-(2-hydroxypropan-2-yl)-1,1,2-trimethyl-4-(3-methylbut-2-enyl)-2H-furo[2,3-c]xanthen-6-one

Details

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Internal ID 46fdff7b-8f39-416c-8c25-d4ab3b7bd8b7
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones
IUPAC Name 5,8-dihydroxy-10-(2-hydroxypropan-2-yl)-1,1,2-trimethyl-4-(3-methylbut-2-enyl)-2H-furo[2,3-c]xanthen-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H30O6/c1-12(2)8-9-15-20(28)18-21(29)16-10-14(27)11-17(26(6,7)30)22(16)32-24(18)19-23(15)31-13(3)25(19,4)5/h8,10-11,13,27-28,30H,9H2,1-7H3
InChI Key UZFQFSWIIKYKFR-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C26H30O6
Molecular Weight 438.50 g/mol
Exact Mass 438.20423867 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 5.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,8-dihydroxy-10-(2-hydroxypropan-2-yl)-1,1,2-trimethyl-4-(3-methylbut-2-enyl)-2H-furo[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 99.37% 91.11%
CHEMBL2581 P07339 Cathepsin D 97.18% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 93.69% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.56% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.04% 86.33%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 92.43% 89.34%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.49% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.88% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.60% 85.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.06% 95.89%
CHEMBL5103 Q969S8 Histone deacetylase 10 87.58% 90.08%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.27% 99.23%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.13% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.83% 94.00%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 83.09% 90.93%
CHEMBL1937 Q92769 Histone deacetylase 2 82.26% 94.75%
CHEMBL1951 P21397 Monoamine oxidase A 82.14% 91.49%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 81.94% 85.00%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 81.01% 97.33%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 80.39% 92.29%

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 scortechinii

Cross-Links

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PubChem 11385095
LOTUS LTS0123926
wikiData Q105282163