L-cinerulose-2-deoxy-L-fucose-L-rhodinose-beta-rhodomycinone
| Internal ID | 268a6c40-c5eb-44d1-b169-7540b3d64ad3 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | (7S,9R,10R)-9-ethyl-4,6,9,10,11-pentahydroxy-7-[(2R,5S,6S)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H46O15/c1-5-38(47)14-23(28-31(37(38)46)35(45)29-30(34(28)44)33(43)27-18(32(29)42)7-6-8-20(27)40)52-24-12-10-22(16(3)49-24)51-26-13-21(41)36(17(4)50-26)53-25-11-9-19(39)15(2)48-25/h6-8,15-17,21-26,36-37,40-41,44-47H,5,9-14H2,1-4H3/t15-,16-,17-,21-,22-,23-,24-,25-,26-,36+,37+,38+/m0/s1 |
| InChI Key | UANULFGBBDVILO-DAWDOBNYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H46O15 |
| Molecular Weight | 742.80 g/mol |
| Exact Mass | 742.28367076 g/mol |
| Topological Polar Surface Area (TPSA) | 228.00 Ų |
| XlogP | 3.00 |
| L-cinerulose-2-deoxy-L-fucose- L-rhodinose-beta-rhodomycinone |
| 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 | 99.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.67% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.81% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.65% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.41% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.30% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.87% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.06% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.90% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.22% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.18% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.89% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.80% | 100.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.07% | 83.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.84% | 91.49% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.79% | 97.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.38% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.34% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.05% | 85.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.57% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.88% | 86.33% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 81.33% | 91.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.14% | 97.79% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.87% | 92.88% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.11% | 96.67% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.05% | 97.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139589974 |
| LOTUS | LTS0016022 |
| wikiData | Q105268941 |