4,6,9-trihydroxy-2-methoxy-9-methyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-8,10-dihydro-7H-tetracene-5,12-dione
| Internal ID | dc1f8a55-0f0c-4443-9c8d-0ebd39650224 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | 4,6,9-trihydroxy-2-methoxy-9-methyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)O)O)O |
| InChI | InChI=1S/C26H28O11/c1-9-19(28)23(32)24(33)25(36-9)37-15-8-26(2,34)7-10-4-12-18(21(30)16(10)15)22(31)17-13(20(12)29)5-11(35-3)6-14(17)27/h4-6,9,15,19,23-25,27-28,30,32-34H,7-8H2,1-3H3 |
| InChI Key | GBILMBMWCHCXLJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O11 |
| Molecular Weight | 516.50 g/mol |
| Exact Mass | 516.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 0.70 |
| 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 | 99.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.87% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.42% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.29% | 96.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.03% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.02% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.36% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.22% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.90% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.34% | 94.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.62% | 96.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.13% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.04% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.56% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.62% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.74% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.94% | 95.93% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.62% | 95.53% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.96% | 97.36% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.82% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.48% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.57% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.11% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.95% | 93.40% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.56% | 85.31% |
| CHEMBL3714531 | Q6P988 | Palmitoleoyl-protein carboxylesterase NOTUM | 81.15% | 97.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.83% | 82.67% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.05% | 91.00% |
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 | 162912278 |
| LOTUS | LTS0166736 |
| wikiData | Q104167016 |