(7R,8R,10S)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,11-pentahydroxy-5,12-naphthacenedione
| Internal ID | 49c13b9c-be2a-48e0-b3fa-bae6cd16f9e5 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H29NO10/c1-3-26(35)8-13(37-14-7-11(27)20(29)9(2)36-14)16-19(25(26)34)24(33)17-18(23(16)32)22(31)15-10(21(17)30)5-4-6-12(15)28/h4-6,9,11,13-14,20,25,28-29,32-35H,3,7-8,27H2,1-2H3/t9-,11-,13-,14-,20+,25+,26+/m0/s1 |
| InChI Key | LKBBOPGQDRPCDS-YAOXHJNESA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C26H29NO10 |
| Molecular Weight | 515.50 g/mol |
| Exact Mass | 515.17914612 g/mol |
| Topological Polar Surface Area (TPSA) | 200.00 Ų |
| XlogP | 1.60 |
| 105615-58-5 |
| AJ227FR53I |
| 10-epi-Oxaunomycin |
| 7-O-(alpha-L-Daunosaminyl)-beta-rhodomycinone |
| UNII-AJ227FR53I |
| DTXSID70909632 |
| R 20X2 |
| (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
| 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,11-pentahydroxy- |
| 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-ethyl-1,6,7,8,11-pentahydroxy-, (8S-cis)- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.88% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.78% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.94% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.46% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.46% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.35% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.15% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.00% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.87% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.77% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.68% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.65% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.29% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.87% | 94.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.38% | 92.88% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.18% | 96.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.82% | 90.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.74% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.66% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.94% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.80% | 94.73% |
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 | 159300 |
| LOTUS | LTS0064317 |
| wikiData | Q82879275 |