4-Keto-ATC
| Internal ID | a3876e35-ac45-483e-8f18-625b54f1e681 |
| Taxonomy | Phenylpropanoids and polyketides > Tetracyclines |
| IUPAC Name | (4aR,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H15NO8/c1-6-7-3-2-4-10(22)11(7)15(24)12-8(6)5-9-14(23)16(25)13(19(21)28)18(27)20(9,29)17(12)26/h2-4,9,22,24-25,29H,5H2,1H3,(H2,21,28)/t9-,20-/m0/s1 |
| InChI Key | OJQSYBOSDDVFNO-LXGOIASLSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H15NO8 |
| Molecular Weight | 397.30 g/mol |
| Exact Mass | 397.07976644 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | 2.20 |
| 4-Ketoanhydrotetracycline |
| 4-Keto-anhydrotetracycline |
| 4-De(dimethylamino)-4-oxoanhydrotetracycline |
| C06627 |
| 4-Dedimethylamino-4-oxo-anhydrotetracycline |
| (4aR,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboxamide |
| CHEBI:28408 |
| (4aR,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide |
| 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 | 99.52% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.51% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.31% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.07% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.76% | 91.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.90% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.84% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.06% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.41% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.29% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.99% | 95.89% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.16% | 83.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.73% | 96.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.09% | 96.00% |
| CHEMBL240 | Q12809 | HERG | 82.20% | 89.76% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.35% | 93.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.15% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.83% | 91.19% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.62% | 80.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.55% | 98.75% |
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 | 54675781 |
| LOTUS | LTS0207897 |
| wikiData | Q76728299 |