Rhodilunancin B
| Internal ID | 3c09cb7a-6efb-4687-b83e-f954bac215f8 |
| Taxonomy | Benzenoids > Naphthacenes > Tetracenequinones |
| IUPAC Name | (9R,10R)-10-[4-(dimethylamino)-5-[4-hydroxy-5-(5-hydroxy-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/C40H53NO14/c1-7-40(49)14-13-21-30(36(48)32-31(34(21)46)35(47)29-20(33(32)45)9-8-10-24(29)43)39(40)55-27-15-22(41(5)6)37(18(3)51-27)54-28-16-25(44)38(19(4)52-28)53-26-12-11-23(42)17(2)50-26/h8-10,17-19,22-23,25-28,37-39,42-44,46,48-49H,7,11-16H2,1-6H3/t17?,18?,19?,22?,23?,25?,26?,27?,28?,37?,38?,39-,40-/m1/s1 |
| InChI Key | MYQIMJTUIOIEOX-WIDSGDLZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C40H53NO14 |
| Molecular Weight | 771.80 g/mol |
| Exact Mass | 771.34660536 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
| 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 | 99.57% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.10% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.13% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.67% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.06% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.01% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.24% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.02% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.01% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.96% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.85% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.63% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.09% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.44% | 97.33% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.67% | 85.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.05% | 95.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.49% | 92.62% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.29% | 96.67% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.72% | 92.94% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.26% | 83.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.24% | 91.19% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.13% | 95.83% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.07% | 90.00% |
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 | 139589016 |
| LOTUS | LTS0199201 |
| wikiData | Q105175114 |