8-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3-ethyl-6-hydroxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
| Internal ID | f8c6a576-0b65-4498-a3ca-416480bfbc2e |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | 8-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3-ethyl-6-hydroxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione |
| SMILES (Canonical) | CCC1CC2=CC(=C3C(=C2C(=O)C1)C(=O)C4=C(C3=O)C(=CC=C4)OC5CC(C(C(O5)C)O)N)O |
| SMILES (Isomeric) | CCC1CC2=CC(=C3C(=C2C(=O)C1)C(=O)C4=C(C3=O)C(=CC=C4)OC5CC(C(C(O5)C)O)N)O |
| InChI | InChI=1S/C26H27NO7/c1-3-12-7-13-9-17(29)22-23(20(13)16(28)8-12)25(31)14-5-4-6-18(21(14)26(22)32)34-19-10-15(27)24(30)11(2)33-19/h4-6,9,11-12,15,19,24,29-30H,3,7-8,10,27H2,1-2H3 |
| InChI Key | GMELFDQPUZSJEE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H27NO7 |
| Molecular Weight | 465.50 g/mol |
| Exact Mass | 465.17875220 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 8-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3-ethyl-6-hydroxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/27918d00-86dd-11ee-ab38-bd300155225c.jpg "2D Structure of 8-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-3-ethyl-6-hydroxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.67% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.00% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.86% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.59% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.33% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.43% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.39% | 95.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.95% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.21% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.68% | 92.94% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 89.39% | 98.44% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.28% | 96.95% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 88.93% | 96.86% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.80% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.97% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.28% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.72% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.48% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.42% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.16% | 91.49% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.76% | 83.10% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.66% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.67% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.59% | 96.21% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.70% | 96.76% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.48% | 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.
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| There are no matching plants. |
| PubChem | 163049850 |
| LOTUS | LTS0212615 |
| wikiData | Q104167288 |