7-Bromo-16-(2-bromopropan-2-yl)-22-hydroxy-8,13-dimethyl-4-methylidene-12,17-dioxatetracyclo[17.3.1.03,8.011,13]tricosa-1(22),19(23),20-trien-18-one
| Internal ID | 02c0bcc5-729f-4b19-be47-ac88fd26411f |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 7-bromo-16-(2-bromopropan-2-yl)-22-hydroxy-8,13-dimethyl-4-methylidene-12,17-dioxatetracyclo[17.3.1.03,8.011,13]tricosa-1(22),19(23),20-trien-18-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H36Br2O4/c1-16-6-9-21(28)26(4)12-10-23-27(5,33-23)13-11-22(25(2,3)29)32-24(31)17-7-8-20(30)18(14-17)15-19(16)26/h7-8,14,19,21-23,30H,1,6,9-13,15H2,2-5H3 |
| InChI Key | XXZGDAJOFSALEJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36Br2O4 |
| Molecular Weight | 584.40 g/mol |
| Exact Mass | 584.09599 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 7-Bromo-16-(2-bromopropan-2-yl)-22-hydroxy-8,13-dimethyl-4-methylidene-12,17-dioxatetracyclo[17.3.1.03,8.011,13]tricosa-1(22),19(23),20-trien-18-one](https://plantaedb.com/storage/docs/compounds/2023/11/a12802d0-85dd-11ee-b0bd-a3e5df48c2c5.jpg "2D Structure of 7-Bromo-16-(2-bromopropan-2-yl)-22-hydroxy-8,13-dimethyl-4-methylidene-12,17-dioxatetracyclo[17.3.1.03,8.011,13]tricosa-1(22),19(23),20-trien-18-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 | 99.03% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.25% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.62% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.52% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.43% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.10% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.16% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.86% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.87% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.59% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.53% | 100.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.39% | 95.78% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.67% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.50% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.09% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.68% | 93.99% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.40% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.74% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.79% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.98% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.90% | 91.19% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.80% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.51% | 97.09% |
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.
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| There are no matching plants. |
| PubChem | 75165915 |
| LOTUS | LTS0066899 |
| wikiData | Q105344357 |