Lobariether C

Details

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Internal ID d1d11704-497b-4afb-945b-803d97ff78be
Taxonomy Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers
IUPAC Name methyl 2-[[(3S)-5,7-dihydroxy-3-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-yl]oxy]-4-methoxy-6-methyl-3-[(E)-3-oxobut-1-enyl]benzoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H24O10/c1-10-9-14(30-4)13(8-7-11(2)25)20(15(10)22(28)31-5)33-21-17-16(18(26)12(3)19(21)27)23(29)34-24(17)32-6/h7-9,24,26-27H,1-6H3/b8-7+/t24-/m0/s1
InChI Key TVYLNARNSQHLQF-UROCCOEBSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H24O10
Molecular Weight 472.40 g/mol
Exact Mass 472.13694696 g/mol
Topological Polar Surface Area (TPSA) 138.00 Ų
XlogP 3.40

Synonyms

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CHEMBL4084972

2D Structure

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2D Structure of Lobariether C

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 97.55% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.09% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.32% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.35% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.00% 86.33%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 90.95% 97.21%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.05% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 88.87% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.95% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.49% 99.23%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 86.19% 91.07%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 85.50% 98.21%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.80% 99.17%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.73% 93.03%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 132503327
LOTUS LTS0239790
wikiData Q105265634