(7R,9R)-7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-2-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
| Internal ID | 399c9cef-61c1-4b02-bf6f-6bb9622282cd |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | (7R,9R)-7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-2-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H30O10/c1-11-20(28)24(32)25(35-4)26(36-11)37-17-10-27(2,33)9-12-7-16-19(23(31)18(12)17)22(30)14-6-5-13(34-3)8-15(14)21(16)29/h5-8,11,17,20,24-26,28,31-33H,9-10H2,1-4H3/t11-,17+,20-,24+,25-,26-,27+/m0/s1 |
| InChI Key | JYMWOUKWJGOFQS-CAABKGGZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H30O10 |
| Molecular Weight | 514.50 g/mol |
| Exact Mass | 514.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (7R,9R)-7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-2-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/953ff160-8705-11ee-a94d-37f6bfb94283.jpg "2D Structure of (7R,9R)-7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-2-methoxy-9-methyl-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 | 99.88% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.86% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.35% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.25% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.99% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.56% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.48% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.91% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.02% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.18% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.81% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.56% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.29% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.10% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.60% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.98% | 99.15% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.49% | 93.31% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.53% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.04% | 97.14% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.86% | 85.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.98% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.82% | 100.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.81% | 95.53% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.88% | 96.67% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.56% | 96.77% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.06% | 90.71% |
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 | 162983940 |
| LOTUS | LTS0121873 |
| wikiData | Q105137111 |