(2S,3R,4S)-4-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5-dihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
| Internal ID | e3603be9-14c7-4b3d-adf5-af31b8f468fb |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | (2S,3R,4S)-4-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5-dihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H30O12/c1-10-18(29)22(33)24(37-4)27(39-10)40-23-17-15(25(34)28(2,35)26(23)38-5)9-14-16(21(17)32)20(31)12-7-6-11(36-3)8-13(12)19(14)30/h6-10,18,22-24,26-27,29,32-33,35H,1-5H3/t10-,18-,22+,23-,24-,26+,27-,28+/m0/s1 |
| InChI Key | HUVMFXSDLOUNSJ-FNWXESSUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H30O12 |
| Molecular Weight | 558.50 g/mol |
| Exact Mass | 558.17372639 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S)-4-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5-dihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione](https://plantaedb.com/storage/docs/compounds/2023/11/4b738010-8690-11ee-a00c-19aec2383c7f.jpg "2D Structure of (2S,3R,4S)-4-[(2S,3S,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,5-dihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.86% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.67% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.54% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.94% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.56% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.07% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.73% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.24% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.61% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.59% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.44% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.39% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.98% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.71% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.28% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.97% | 93.40% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.68% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.07% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.02% | 96.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.51% | 91.07% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.70% | 97.36% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.17% | 91.19% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.89% | 86.92% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.79% | 96.67% |
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 | 163193013 |
| LOTUS | LTS0045055 |
| wikiData | Q105290165 |