9-ethyl-4,6,9,11-tetrahydroxy-7-[4-hydroxy-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione
| Internal ID | 27fd5dd5-e419-4fe2-b803-4184bf0b3e67 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | 9-ethyl-4,6,9,11-tetrahydroxy-7-[4-hydroxy-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H48O14/c1-5-38(46)14-20-30(36(45)32-31(34(20)43)33(42)19-7-6-8-22(40)29(19)35(32)44)25(15-38)51-28-13-23(41)37(18(4)49-28)52-27-12-10-24(17(3)48-27)50-26-11-9-21(39)16(2)47-26/h6-8,16-18,21,23-28,37,39-41,43,45-46H,5,9-15H2,1-4H3 |
| InChI Key | JJAQRKNMYZIVJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H48O14 |
| Molecular Weight | 728.80 g/mol |
| Exact Mass | 728.30440620 g/mol |
| Topological Polar Surface Area (TPSA) | 211.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 9-ethyl-4,6,9,11-tetrahydroxy-7-[4-hydroxy-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ce3d90e0-857e-11ee-8abd-37a005fa1ce6.jpg "2D Structure of 9-ethyl-4,6,9,11-tetrahydroxy-7-[4-hydroxy-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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 | 99.55% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.04% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.38% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.38% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.72% | 95.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.18% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.69% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.83% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.79% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.48% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.53% | 96.77% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.19% | 91.49% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.12% | 97.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.39% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.05% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.57% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.25% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.03% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.62% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.34% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.86% | 97.14% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.37% | 83.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.03% | 85.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.88% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.23% | 97.25% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.17% | 92.88% |
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.
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| There are no matching plants. |
| PubChem | 162948445 |
| LOTUS | LTS0126307 |
| wikiData | Q104169585 |