7,11-Dibromo-15-(2-bromopropan-2-yl)-12,21-dihydroxy-4,8,12-trimethyl-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one
| Internal ID | 8f0e39cd-7107-4899-82e8-7a19863c4c52 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 7,11-dibromo-15-(2-bromopropan-2-yl)-12,21-dihydroxy-4,8,12-trimethyl-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H37Br3O4/c1-16-6-9-21(28)26(4)12-10-22(29)27(5,33)13-11-23(25(2,3)30)34-24(32)17-7-8-20(31)18(14-17)15-19(16)26/h7-8,14,21-23,31,33H,6,9-13,15H2,1-5H3 |
| InChI Key | SKIHYPQTROYIIT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H37Br3O4 |
| Molecular Weight | 665.30 g/mol |
| Exact Mass | 664.02215 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 7,11-Dibromo-15-(2-bromopropan-2-yl)-12,21-dihydroxy-4,8,12-trimethyl-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/677791d0-8534-11ee-9620-21cf7807f394.jpg "2D Structure of 7,11-Dibromo-15-(2-bromopropan-2-yl)-12,21-dihydroxy-4,8,12-trimethyl-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,18(22),19-tetraen-17-one")
| 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 | 98.62% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.88% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.31% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 93.10% | 89.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.38% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.89% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.66% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.42% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.08% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.30% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.15% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.82% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.27% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.14% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.93% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.73% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.33% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.21% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.02% | 93.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.64% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.62% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.50% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.91% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.19% | 97.25% |
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 | 73838022 |
| LOTUS | LTS0148727 |
| wikiData | Q105254850 |