8-[(2S,4R,5S,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-3-methylbenzo[a]anthracene-7,12-dione
| Internal ID | d22fbf1a-d233-4aab-8a56-2adb26b02535 |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | 8-[(2S,4R,5S,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-3-methylbenzo[a]anthracene-7,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H32O10/c1-13-9-16-7-8-18-27(25(16)19(32)10-13)30(37)17-5-4-6-22(26(17)29(18)36)40-23-12-21(34)31(15(3)39-23)41-24-11-20(33)28(35)14(2)38-24/h4-10,14-15,20-21,23-24,28,31-35H,11-12H2,1-3H3/t14-,15-,20-,21-,23+,24+,28-,31-/m1/s1 |
| InChI Key | PALOVKKTEPSBNX-UXLRNTTNSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C31H32O10 |
| Molecular Weight | 564.60 g/mol |
| Exact Mass | 564.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 3.30 |
| CHEBI:70052 |
| CHEMBL1668343 |
| Q27138391 |
![2D Structure of 8-[(2S,4R,5S,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-3-methylbenzo[a]anthracene-7,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/landomycin-o.jpg "2D Structure of 8-[(2S,4R,5S,6R)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-3-methylbenzo[a]anthracene-7,12-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.81% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.96% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.52% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.27% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.81% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.79% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.71% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.71% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.60% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.66% | 93.03% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.50% | 96.67% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.42% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.36% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.73% | 99.15% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.46% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.32% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.95% | 90.71% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.78% | 83.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.27% | 96.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.24% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.36% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.02% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.07% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.03% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.31% | 92.94% |
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 | 53317507 |
| LOTUS | LTS0216096 |
| wikiData | Q27138391 |