Roseorubicin A
| Internal ID | ff019a89-9bf9-40ff-acfc-529376e4e7d5 |
| Taxonomy | Benzenoids > Naphthacenes > Tetracenequinones |
| IUPAC Name | 10-[4-(dimethylamino)-5-[4-(dimethylamino)-5-[4-hydroxy-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H78N2O18/c1-11-54(64)20-19-30-43(49(63)45-44(47(30)61)48(62)42-29(46(45)60)13-12-14-34(42)58)53(54)74-40-22-32(56(9)10)50(27(5)68-40)72-39-21-31(55(7)8)51(26(4)67-39)73-41-23-35(59)52(28(6)69-41)71-38-18-16-36(25(3)66-38)70-37-17-15-33(57)24(2)65-37/h12-14,24-28,31-33,35-41,50-53,57-59,61,63-64H,11,15-23H2,1-10H3 |
| InChI Key | IWFXKTHFKLCDQJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C54H78N2O18 |
| Molecular Weight | 1043.20 g/mol |
| Exact Mass | 1042.52496364 g/mol |
| Topological Polar Surface Area (TPSA) | 254.00 Ų |
| XlogP | 5.30 |
| BRN 1419073 |
| 70559-00-1 |
| 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 | 99.62% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.23% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.53% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.13% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.96% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.60% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.06% | 96.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 92.04% | 97.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.02% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 90.59% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.46% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.40% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.19% | 96.21% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.41% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.10% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.47% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.07% | 92.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.99% | 97.79% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.44% | 96.67% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.21% | 96.77% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.15% | 83.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.84% | 92.94% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.73% | 96.37% |
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 | 153261 |
| LOTUS | LTS0084255 |
| wikiData | Q75068042 |