Cytosporaquinone A

Details

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Internal ID f02a5872-1e86-426b-9b19-2006c16a5ed2
Taxonomy Organoheterocyclic compounds > Benzofurans
IUPAC Name 2,7,8-trihydroxy-3-[4-(3-methylbut-2-enoxy)phenyl]dibenzofuran-1,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H18O7/c1-11(2)7-8-29-13-5-3-12(4-6-13)18-20(26)21(27)19-14-9-15(24)16(25)10-17(14)30-23(19)22(18)28/h3-7,9-10,24-26H,8H2,1-2H3
InChI Key JGNNFUCTZNTOCT-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H18O7
Molecular Weight 406.40 g/mol
Exact Mass 406.10525291 g/mol
Topological Polar Surface Area (TPSA) 117.00 Ų
XlogP 4.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Cytosporaquinone A

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 99.39% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 97.06% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 96.11% 94.00%
CHEMBL2581 P07339 Cathepsin D 95.93% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 95.82% 94.73%
CHEMBL1929 P47989 Xanthine dehydrogenase 93.84% 96.12%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 93.25% 99.15%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.58% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.24% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.90% 95.56%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 89.81% 86.92%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.43% 99.17%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 87.43% 83.57%
CHEMBL1951 P21397 Monoamine oxidase A 87.32% 91.49%
CHEMBL4208 P20618 Proteasome component C5 84.20% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.84% 96.00%
CHEMBL1907 P15144 Aminopeptidase N 83.36% 93.31%
CHEMBL2243 O00519 Anandamide amidohydrolase 82.09% 97.53%

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 146683361
LOTUS LTS0021938
wikiData Q105127556