Pseudonocardone C

Details

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Internal ID c16e9aa9-885d-4833-8a4b-d2ce356a49d1
Taxonomy Phenylpropanoids and polyketides > Angucyclines
IUPAC Name (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1-hydroxy-8-methoxy-3-methyl-7,12-dioxobenzo[a]anthracen-2-yl)oxyoxane-2-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H22O11/c1-9-8-10-6-7-12-16(18(28)11-4-3-5-13(35-2)15(11)17(12)27)14(10)19(29)23(9)36-26-22(32)20(30)21(31)24(37-26)25(33)34/h3-8,20-22,24,26,29-32H,1-2H3,(H,33,34)/t20-,21-,22+,24-,26+/m0/s1
InChI Key PFYZXYHKMIBQRL-SNYRDRRFSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C26H22O11
Molecular Weight 510.40 g/mol
Exact Mass 510.11621151 g/mol
Topological Polar Surface Area (TPSA) 180.00 Ų
XlogP 2.20

Synonyms

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CHEMBL2152476
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1-hydroxy-8-methoxy-3-methyl-7,12-dioxo-benzo[a]anthracen-2-yl)oxy-tetrahydropyran-2-carboxylic acid

2D Structure

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2D Structure of Pseudonocardone 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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.69% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 97.21% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.20% 91.11%
CHEMBL2581 P07339 Cathepsin D 97.11% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.15% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 95.32% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.31% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.85% 94.00%
CHEMBL2535 P11166 Glucose transporter 89.40% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.89% 96.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.41% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.35% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 86.10% 94.73%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 85.42% 96.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.36% 96.95%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 83.11% 96.67%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 82.33% 96.21%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.96% 95.50%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 81.93% 95.64%
CHEMBL1255126 O15151 Protein Mdm4 81.78% 90.20%
CHEMBL4530 P00488 Coagulation factor XIII 80.69% 96.00%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.65% 94.03%

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 71460288
LOTUS LTS0081763
wikiData Q77373295