Quinofuracin D

Details

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Internal ID fbc03a11-6551-47b0-8629-82be5ae86a0a
Taxonomy Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones
IUPAC Name 2-[(1S)-1-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-oxohexyl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
SMILES (Canonical) CC(=O)CCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)OC4C(C(C(O4)C(CO)O)O)O
SMILES (Isomeric) CC(=O)CCC[C@@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O4)[C@@H](CO)O)O)O
InChI InChI=1S/C26H28O13/c1-9(28)3-2-4-16(38-26-24(37)23(36)25(39-26)15(32)8-27)19-14(31)7-12-18(22(19)35)21(34)17-11(20(12)33)5-10(29)6-13(17)30/h5-7,15-16,23-27,29-32,35-37H,2-4,8H2,1H3/t15-,16+,23-,24-,25+,26-/m1/s1
InChI Key AWPZQTIGVJBSTI-HQUGCNLOSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C26H28O13
Molecular Weight 548.50 g/mol
Exact Mass 548.15299094 g/mol
Topological Polar Surface Area (TPSA) 232.00 Ų
XlogP -0.10

Synonyms

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CHEMBL3422270

2D Structure

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2D Structure of Quinofuracin D

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
CHEMBL2581 P07339 Cathepsin D 99.40% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.13% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.53% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.33% 89.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.68% 99.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 94.09% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 93.79% 94.73%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 92.62% 96.38%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.55% 99.23%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 90.04% 97.21%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.97% 95.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 88.92% 95.89%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.50% 96.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.85% 99.15%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 85.64% 85.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.03% 86.33%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 83.89% 96.21%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 82.96% 96.90%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.40% 96.00%
CHEMBL4581 P52732 Kinesin-like protein 1 81.91% 93.18%
CHEMBL4208 P20618 Proteasome component C5 81.32% 90.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.50% 93.56%

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 118735493
LOTUS LTS0158003
wikiData Q75068268