6-Bromopenitrem E
| Internal ID | 212e35c5-29a3-48a9-97db-8f3ac1ada96c |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-bromo-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H44BrNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1 |
| InChI Key | ZZWQUPXJSYFQBQ-JKPSMKLGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H44BrNO6 |
| Molecular Weight | 678.70 g/mol |
| Exact Mass | 677.23520 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.80 |
| CHEMBL3220349 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.01% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.81% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.51% | 91.49% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.31% | 97.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.43% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.18% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.14% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.02% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.24% | 95.89% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 91.41% | 97.31% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.34% | 100.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.48% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.40% | 95.56% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 88.74% | 80.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.51% | 95.93% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.80% | 95.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.76% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.06% | 94.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.33% | 88.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.44% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.30% | 94.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.84% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.71% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.87% | 90.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.54% | 82.69% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.44% | 94.23% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.42% | 91.03% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.27% | 97.50% |
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 | 11765115 |
| LOTUS | LTS0191451 |
| wikiData | Q77501852 |