1,11-Dihydroxy-8-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbenzo[a]anthracene-7,12-dione
| Internal ID | 92b592e8-d9e6-4c07-bdd3-955cf46dcb2b |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | 1,11-dihydroxy-8-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbenzo[a]anthracene-7,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H42O13/c1-15-11-19-5-6-20-31(30(19)23(40)12-15)36(44)32-22(39)7-9-25(33(32)35(20)43)48-28-13-24(41)37(18(4)47-28)50-29-14-26(34(42)17(3)46-29)49-27-10-8-21(38)16(2)45-27/h5-7,9,11-12,16-18,21,24,26-29,34,37-42H,8,10,13-14H2,1-4H3 |
| InChI Key | RUJFLJSRGGUINW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H42O13 |
| Molecular Weight | 694.70 g/mol |
| Exact Mass | 694.26254139 g/mol |
| Topological Polar Surface Area (TPSA) | 191.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 1,11-Dihydroxy-8-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbenzo[a]anthracene-7,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e94efd80-85f6-11ee-b040-037c9efb850f.jpg "2D Structure of 1,11-Dihydroxy-8-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbenzo[a]anthracene-7,12-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.85% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.39% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.84% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.16% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.61% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.24% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.27% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.15% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.81% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.03% | 96.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.44% | 96.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.21% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.97% | 99.15% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.59% | 96.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.53% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.46% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.37% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.04% | 95.78% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.77% | 83.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.75% | 93.03% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.60% | 97.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.56% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.96% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.74% | 97.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.02% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.78% | 96.09% |
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 | 75597903 |
| LOTUS | LTS0120058 |
| wikiData | Q104196952 |