5-hydroxy-9,10-dimethoxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one

Details

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Internal ID da3d746e-25e9-43a1-bd0b-ac55810b65d5
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 5-hydroxy-9,10-dimethoxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one
SMILES (Canonical) CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4OC)OC)O)(C)C
SMILES (Isomeric) CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4OC)OC)O)(C)C
InChI InChI=1S/C20H20O6/c1-9-20(2,3)15-13(25-9)8-11(21)14-16(22)10-6-7-12(23-4)18(24-5)17(10)26-19(14)15/h6-9,21H,1-5H3
InChI Key DLXKBRSCEHIVLC-UHFFFAOYSA-N
Popularity 0 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) 74.20 Ų
XlogP 4.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-hydroxy-9,10-dimethoxy-1,1,2-trimethyl-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 98.24% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.05% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.89% 89.00%
CHEMBL1255126 O15151 Protein Mdm4 94.78% 90.20%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.58% 93.99%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.12% 94.45%
CHEMBL1937 Q92769 Histone deacetylase 2 92.88% 94.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.22% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.54% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.06% 99.23%
CHEMBL2535 P11166 Glucose transporter 88.83% 98.75%
CHEMBL2581 P07339 Cathepsin D 86.82% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 85.28% 92.94%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.08% 97.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.48% 99.15%
CHEMBL3194 P02766 Transthyretin 83.16% 90.71%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 83.13% 97.33%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 82.87% 80.78%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.12% 95.89%
CHEMBL1951 P21397 Monoamine oxidase A 81.98% 91.49%
CHEMBL340 P08684 Cytochrome P450 3A4 80.92% 91.19%

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 vieillardii

Cross-Links

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PubChem 163000741
LOTUS LTS0215597
wikiData Q104984840