Sulfurmycin B
| Internal ID | ba46b9c0-1a7d-43ec-8bcc-36d7bfe52be1 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-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/C43H51NO16/c1-17(45)15-43(52)16-29(33-22(35(43)41(51)53-7)11-23-34(38(33)50)37(49)32-21(36(23)48)9-8-10-25(32)46)58-30-12-24(44(5)6)39(19(3)54-30)59-31-14-27-40(20(4)55-31)60-42-28(57-27)13-26(47)18(2)56-42/h8-11,18-20,24,27-31,35,39-40,42,46,50,52H,12-16H2,1-7H3 |
| InChI Key | DONDQYGRHMLYMF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C43H51NO16 |
| Molecular Weight | 837.90 g/mol |
| Exact Mass | 837.32078454 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 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 | 98.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.52% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.73% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.11% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.50% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.30% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.00% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.08% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.04% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.81% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.87% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.95% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.88% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.70% | 96.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.88% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.66% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.28% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.35% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.15% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.52% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.11% | 94.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.26% | 83.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.01% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.80% | 96.95% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 80.69% | 83.65% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.25% | 96.67% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.12% | 97.50% |
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 | 12850476 |
| LOTUS | LTS0134761 |
| wikiData | Q104986070 |