Obelmycin F
| Internal ID | 24ab494f-e1c4-4d3c-8498-94ccf3c2a55b |
| Taxonomy | Benzenoids > Naphthacenes > Tetracenequinones |
| IUPAC Name | (9R,10R)-10-[(2S,4S,5R,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6R)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H53NO15/c1-7-40(50)13-12-19-28(34(47)32-31(33(19)46)35(48)29-22(43)8-9-23(44)30(29)36(32)49)39(40)56-26-14-20(41(5)6)37(17(3)52-26)55-27-15-24(45)38(18(4)53-27)54-25-11-10-21(42)16(2)51-25/h8-9,16-18,20-21,24-27,37-39,42-47,50H,7,10-15H2,1-6H3/t16-,17+,18+,20-,21-,24+,25-,26-,27-,37-,38+,39+,40+/m0/s1 |
| InChI Key | HLNBIKIAALFYJX-ZSBWRXPGSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C40H53NO15 |
| Molecular Weight | 787.80 g/mol |
| Exact Mass | 787.34151998 g/mol |
| Topological Polar Surface Area (TPSA) | 234.00 Ų |
| XlogP | 3.50 |
| 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 | 99.74% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.37% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.92% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.44% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.62% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.18% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.41% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.37% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.12% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.26% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.14% | 96.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.23% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.57% | 92.62% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.59% | 95.64% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.57% | 92.94% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.54% | 96.37% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.50% | 99.23% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.72% | 97.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.55% | 96.21% |
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 | 139589237 |
| LOTUS | LTS0100336 |
| wikiData | Q104402094 |