Sulfurmycin E
| Internal ID | 704b0ae7-e222-4342-a6e7-db6ba546fd14 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | methyl (1S,2R,4S)-4-[(2S,4S,5R,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H55NO16/c1-18(45)16-43(53)17-29(34-23(36(43)42(52)54-7)13-24-35(39(34)51)38(50)33-22(37(24)49)9-8-10-27(33)47)58-31-14-25(44(5)6)40(20(3)56-31)60-32-15-28(48)41(21(4)57-32)59-30-12-11-26(46)19(2)55-30/h8-10,13,19-21,25-26,28-32,36,40-41,46-48,51,53H,11-12,14-17H2,1-7H3/t19-,20-,21-,25-,26+,28-,29-,30-,31+,32-,36+,40-,41+,43-/m0/s1 |
| InChI Key | ONRDFNTYASFICP-SNSWQSRASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C43H55NO16 |
| Molecular Weight | 841.90 g/mol |
| Exact Mass | 841.35208467 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 | 99.86% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.12% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.36% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.92% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.46% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.29% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.60% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.51% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.94% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.34% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.32% | 91.19% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.12% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.51% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.73% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.26% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.41% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.03% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.96% | 90.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.65% | 95.83% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.02% | 83.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.86% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.57% | 90.71% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.88% | 96.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.65% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.10% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.92% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.82% | 97.14% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.67% | 97.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.48% | 95.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.43% | 91.49% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139589067 |
| LOTUS | LTS0083965 |
| wikiData | Q105195075 |