5,9,10,17-Tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione
| Internal ID | c5af2e6b-52b3-4a18-a945-53400a08e0cc |
| Taxonomy | Benzenoids > Perylenequinones |
| IUPAC Name | 5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione |
| SMILES (Canonical) | C1C(C2(C3C4C(O4)C(=O)C5=C(C=CC(=C35)C6=C2C(=C(C=C6)O)C1=O)O)O)O |
| SMILES (Isomeric) | C1C(C2(C3C4C(O4)C(=O)C5=C(C=CC(=C35)C6=C2C(=C(C=C6)O)C1=O)O)O)O |
| InChI | InChI=1S/C20H14O7/c21-8-4-2-7-6-1-3-9(22)14-12(6)16(18-19(27-18)17(14)25)20(26)11(24)5-10(23)13(8)15(7)20/h1-4,11,16,18-19,21-22,24,26H,5H2 |
| InChI Key | CWLFJXQTLUVHKQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H14O7 |
| Molecular Weight | 366.30 g/mol |
| Exact Mass | 366.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 5,9,10,17-Tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/169e4820-86b6-11ee-be81-4578e19519dc.jpg "2D Structure of 5,9,10,17-Tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-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 | 98.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.20% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.84% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.17% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.99% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.63% | 99.15% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.48% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.40% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.24% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.05% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.33% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.06% | 93.04% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.04% | 85.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.47% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.40% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.44% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.51% | 90.71% |
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 | 53463429 |
| LOTUS | LTS0121028 |
| wikiData | Q103818112 |