Quinofuracin E

Details

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Internal ID ff035c6a-1750-425e-99f2-fbdbf145ba03
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name (4S,8R)-16-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,18-dihydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-hexaene-13,20-dione
SMILES (Canonical) C1COC2C1C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)OC6C(C(C(O6)C(CO)O)O)O
SMILES (Isomeric) C1CO[C@H]2[C@@H]1C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)O[C@H]6[C@@H]([C@H]([C@@H](O6)[C@@H](CO)O)O)O
InChI InChI=1S/C24H22O12/c25-6-12(27)22-20(31)21(32)24(36-22)34-7-3-9-14(11(26)4-7)18(29)16-10(17(9)28)5-13-15(19(16)30)8-1-2-33-23(8)35-13/h3-5,8,12,20-27,30-32H,1-2,6H2/t8-,12+,20+,21+,22-,23+,24+/m0/s1
InChI Key OLFHZTHTAYTUJX-RRBVTZQMSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C24H22O12
Molecular Weight 502.40 g/mol
Exact Mass 502.11112613 g/mol
Topological Polar Surface Area (TPSA) 192.00 Ų
XlogP 0.50

Synonyms

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CHEMBL3422271

2D Structure

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2D Structure of Quinofuracin E

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 99.24% 91.11%
CHEMBL2581 P07339 Cathepsin D 98.31% 98.95%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 97.29% 96.38%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.26% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.79% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.83% 97.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.12% 99.15%
CHEMBL4208 P20618 Proteasome component C5 91.71% 90.00%
CHEMBL226 P30542 Adenosine A1 receptor 90.99% 95.93%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.81% 95.89%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 90.26% 96.21%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 88.60% 92.88%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.38% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.02% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.65% 99.23%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.25% 95.89%
CHEMBL4296 Q15858 Sodium channel protein type IX alpha subunit 85.24% 96.11%
CHEMBL4581 P52732 Kinesin-like protein 1 83.39% 93.18%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.19% 92.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.18% 99.17%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 83.13% 82.67%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.64% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.57% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.17% 94.00%
CHEMBL3714130 P46095 G-protein coupled receptor 6 82.03% 97.36%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.60% 92.62%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 80.90% 95.83%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 80.28% 97.33%

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 118735494
LOTUS LTS0086313
wikiData Q77508520