(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-9-[(1S)-1-hydroxyethyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Internal ID | 26aa07e8-1b50-42bc-b2c4-89bb48b52ab1 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-9-[(1S)-1-hydroxyethyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H31NO9/c1-11-23(30)16(28)8-19(36-11)37-18-10-27(34,12(2)29)9-13-7-15-22(25(32)20(13)18)26(33)21-14(24(15)31)5-4-6-17(21)35-3/h4-7,11-12,16,18-19,23,29-30,32,34H,8-10,28H2,1-3H3/t11-,12-,16-,18-,19-,23+,27-/m0/s1 |
| InChI Key | GRVBOQWAGWTZLJ-DVXLEOGKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H31NO9 |
| Molecular Weight | 513.50 g/mol |
| Exact Mass | 513.19988157 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-9-[(1S)-1-hydroxyethyl]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/dbfb24b0-8745-11ee-94f5-ad873d77e89e.jpg "2D Structure of (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9-dihydroxy-9-[(1S)-1-hydroxyethyl]-4-methoxy-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 | 99.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.24% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.02% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.92% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.49% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.40% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.75% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.60% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.09% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.34% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.25% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.61% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.05% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.83% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.74% | 95.93% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 89.53% | 96.86% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.12% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.32% | 96.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.26% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.82% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.80% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.40% | 100.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.86% | 83.10% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.83% | 96.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.67% | 92.88% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.33% | 94.03% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.91% | 93.18% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.36% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.54% | 91.07% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.94% | 96.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.73% | 95.89% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.66% | 93.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.15% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.45% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.34% | 93.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.07% | 89.50% |
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 | 162907105 |
| LOTUS | LTS0133460 |
| wikiData | Q105107217 |