L-rhodinose-2-deoxy-L-fucose-2-deoxy-L-fucose-beta-rhodomycinone
| Internal ID | 45cc846a-7c4a-4f86-974e-d1ec0cd28bf2 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | (7S,9R,10R)-9-ethyl-4,6,9,10,11-pentahydroxy-7-[(2R,4S,5S,6S)-4-hydroxy-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H48O16/c1-5-38(48)13-22(27-30(37(38)47)34(46)28-29(33(27)45)32(44)26-17(31(28)43)7-6-8-19(26)40)52-24-11-20(41)36(16(4)50-24)54-25-12-21(42)35(15(3)51-25)53-23-10-9-18(39)14(2)49-23/h6-8,14-16,18,20-25,35-37,39-42,45-48H,5,9-13H2,1-4H3/t14-,15-,16-,18-,20-,21-,22-,23-,24-,25-,35+,36+,37+,38+/m0/s1 |
| InChI Key | VEGNNUQXHVKSQU-BCIFTYBMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H48O16 |
| Molecular Weight | 760.80 g/mol |
| Exact Mass | 760.29423544 g/mol |
| Topological Polar Surface Area (TPSA) | 251.00 Ų |
| XlogP | 2.00 |
| L-rhodinose-2-deoxy-L-fucose-2-deoxy-L-fucose-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 | 99.18% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.99% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.95% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.61% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.20% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.88% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.58% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.07% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.26% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.80% | 96.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.21% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.71% | 96.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.55% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.26% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.75% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.70% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.50% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.05% | 99.15% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.71% | 85.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.60% | 83.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.40% | 82.69% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.48% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.50% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.05% | 97.14% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.17% | 97.33% |
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 | 139589980 |
| LOTUS | LTS0029063 |
| wikiData | Q105284574 |