7-Bromo-22-hydroxy-16-(2-hydroxypropan-2-yl)-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 | 96657464-6ce5-4158-9b69-97394f9cf407 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 7-bromo-22-hydroxy-16-(2-hydroxypropan-2-yl)-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) | CC12CCC(OC(=O)C3=CC(=C(C=C3)O)CC4C(=C)CCC(C4(CCC1O2)C)Br)C(C)(C)O |
| SMILES (Isomeric) | CC12CCC(OC(=O)C3=CC(=C(C=C3)O)CC4C(=C)CCC(C4(CCC1O2)C)Br)C(C)(C)O |
| InChI | InChI=1S/C27H37BrO5/c1-16-6-9-21(28)26(4)12-10-23-27(5,33-23)13-11-22(25(2,3)31)32-24(30)17-7-8-20(29)18(14-17)15-19(16)26/h7-8,14,19,21-23,29,31H,1,6,9-13,15H2,2-5H3 |
| InChI Key | DRPSOKQUGMQRLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H37BrO5 |
| Molecular Weight | 521.50 g/mol |
| Exact Mass | 520.18244 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 7-Bromo-22-hydroxy-16-(2-hydroxypropan-2-yl)-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/d46be910-8571-11ee-baf2-efdfb9de292f.jpg "2D Structure of 7-Bromo-22-hydroxy-16-(2-hydroxypropan-2-yl)-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 | 99.19% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.36% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.36% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.74% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.12% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.76% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.55% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.71% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.41% | 94.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.84% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.07% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.88% | 85.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.53% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.85% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.72% | 99.15% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.75% | 100.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.34% | 95.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.18% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.67% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.01% | 97.05% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.85% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.36% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.65% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.15% | 94.73% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.99% | 82.69% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.20% | 99.43% |
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 | 72989752 |
| LOTUS | LTS0132520 |
| wikiData | Q104987575 |