9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
| Internal ID | 41c5e51a-3f44-4847-b3af-f0aa57dbb27c |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)(C(=O)C)O)N)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)(C(=O)C)O)N)O |
| InChI | InChI=1S/C26H27NO9/c1-10-22(30)15(27)7-18(35-10)36-17-9-26(34,11(2)28)8-12-6-14-21(24(32)19(12)17)25(33)20-13(23(14)31)4-3-5-16(20)29/h3-6,10,15,17-18,22,29-30,32,34H,7-9,27H2,1-2H3 |
| InChI Key | IVTIJSPMQMJSEQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H27NO9 |
| Molecular Weight | 497.50 g/mol |
| Exact Mass | 497.16858144 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
| 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 | 99.71% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.90% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.73% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.41% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.08% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.66% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.89% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.42% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.07% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.99% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.70% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.52% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.44% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.15% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.07% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.81% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.95% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.80% | 91.07% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.18% | 91.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.86% | 94.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.48% | 83.10% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.74% | 96.21% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.28% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.04% | 90.71% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.67% | 96.00% |
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 | 85142297 |
| LOTUS | LTS0218200 |
| wikiData | Q104169178 |