(7S,9R)-6,9-dihydroxy-9-methyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione
| Internal ID | b912a949-bea9-4b45-8f0e-1be048cdc4ac |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | (7S,9R)-6,9-dihydroxy-9-methyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O9/c1-10-18(26)22(30)23(31)24(33-10)34-15-9-25(2,32)8-11-7-14-17(21(29)16(11)15)20(28)13-6-4-3-5-12(13)19(14)27/h3-7,10,15,18,22-24,26,29-32H,8-9H2,1-2H3/t10-,15-,18-,22+,23-,24-,25+/m0/s1 |
| InChI Key | FKLXDCWARCYSKD-BYUYRNHCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O9 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (7S,9R)-6,9-dihydroxy-9-methyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/c2f0c8c0-8558-11ee-bfbc-1dfbaf356af5.jpg "2D Structure of (7S,9R)-6,9-dihydroxy-9-methyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione")
| 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 | 99.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.73% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.22% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.42% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.13% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.63% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.51% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.57% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.53% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.39% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.75% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.41% | 95.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.69% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.47% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.20% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.49% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.30% | 96.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.22% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.13% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.24% | 96.38% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.01% | 83.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.37% | 100.00% |
| 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 | 162842042 |
| LOTUS | LTS0027313 |
| wikiData | Q104996683 |