Balmoralmycin
| Internal ID | 6fd82379-3c04-4112-81f2-ee1af1ceabd4 |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | [(2R,3S,4R,6R)-4-hydroxy-2-methyl-6-(1,6,8-trihydroxy-3-methyl-7,12-dioxobenzo[a]anthracen-9-yl)oxan-3-yl] (2E,4E)-deca-2,4-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H36O9/c1-4-5-6-7-8-9-10-11-27(39)44-35-19(3)43-26(17-25(35)38)21-12-13-22-29(32(21)40)34(42)30-24(37)16-20-14-18(2)15-23(36)28(20)31(30)33(22)41/h8-16,19,25-26,35-38,40H,4-7,17H2,1-3H3/b9-8+,11-10+/t19-,25-,26-,35-/m1/s1 |
| InChI Key | FNKQOTSFCUVWOM-SCYGQDGYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C35H36O9 |
| Molecular Weight | 600.70 g/mol |
| Exact Mass | 600.23593272 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 7.10 |
| [(2R,3S,4R,6R)-4-hydroxy-2-methyl-6-(1,6,8-trihydroxy-3-methyl-7,12-dioxobenzo[a]anthracen-9-yl)oxan-3-yl] (2E,4E)-deca-2,4-dienoate |
| 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 | 99.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.51% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.76% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.68% | 91.49% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 96.30% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.63% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.11% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.43% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.39% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.41% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.25% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.21% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.36% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.19% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.87% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.80% | 91.19% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.85% | 95.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.81% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.07% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.16% | 96.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.23% | 93.18% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.09% | 92.08% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.79% | 93.03% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.34% | 91.71% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.31% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.18% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 10393797 |
| LOTUS | LTS0082949 |
| wikiData | Q75063162 |