Napyradiomycin Cnq525.600
| Internal ID | 7e791914-1fee-4c93-8b51-74bd1be8facc |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (3R,4aS,10aR)-3-bromo-10a-[[(1S,3S,6S)-3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-4,4a-dihydro-3H-benzo[g]chromene-5,10-dione |
| SMILES (Canonical) | CC1=C(C=C2C(=C1O)C(=O)C3CC(C(OC3(C2=O)CC4C(C(CCC4(C)O)Br)(C)C)(C)C)Br)O |
| SMILES (Isomeric) | CC1=C(C=C2C(=C1O)C(=O)[C@H]3C[C@H](C(O[C@]3(C2=O)C[C@@H]4[C@@](CC[C@@H](C4(C)C)Br)(C)O)(C)C)Br)O |
| InChI | InChI=1S/C26H34Br2O6/c1-12-15(29)9-13-19(20(12)30)21(31)14-10-18(28)24(4,5)34-26(14,22(13)32)11-16-23(2,3)17(27)7-8-25(16,6)33/h9,14,16-18,29-30,33H,7-8,10-11H2,1-6H3/t14-,16+,17+,18-,25+,26-/m1/s1 |
| InChI Key | GQSXTXLHELBDSQ-CJWPEDLKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H34Br2O6 |
| Molecular Weight | 602.40 g/mol |
| Exact Mass | 602.07016 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 5.40 |
| CHEMBL3104842 |
| 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 | 98.45% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.58% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.05% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.87% | 94.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.52% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.53% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.19% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.36% | 94.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.22% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.66% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.49% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.48% | 96.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.40% | 85.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.39% | 96.38% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.12% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.96% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.34% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.39% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.95% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.55% | 93.99% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.85% | 93.04% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.09% | 96.43% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.08% | 90.00% |
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 | 76321116 |
| LOTUS | LTS0072764 |
| wikiData | Q105015563 |