(8S,11R,12S,15S)-11-bromo-12,21-dihydroxy-4,7,12-trimethyl-15-prop-1-en-2-yl-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,6,18(22),19-pentaen-17-one
| Internal ID | 874441ef-e76f-4c18-870c-b9dd37e0d7ae |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (8S,11R,12S,15S)-11-bromo-12,21-dihydroxy-4,7,12-trimethyl-15-prop-1-en-2-yl-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,6,18(22),19-pentaen-17-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H35BrO4/c1-16(2)24-12-13-27(5,31)25(28)11-9-21-17(3)6-7-18(4)22(21)15-20-14-19(26(30)32-24)8-10-23(20)29/h6,8,10,14,21,24-25,29,31H,1,7,9,11-13,15H2,2-5H3/t21-,24-,25+,27-/m0/s1 |
| InChI Key | RBCKUQFYJTZYAI-CIMCOABOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H35BrO4 |
| Molecular Weight | 503.50 g/mol |
| Exact Mass | 502.17187 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (8S,11R,12S,15S)-11-bromo-12,21-dihydroxy-4,7,12-trimethyl-15-prop-1-en-2-yl-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,6,18(22),19-pentaen-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/280e6cd0-865a-11ee-8947-a34fa99ea497.jpg "2D Structure of (8S,11R,12S,15S)-11-bromo-12,21-dihydroxy-4,7,12-trimethyl-15-prop-1-en-2-yl-16-oxatricyclo[16.3.1.03,8]docosa-1(21),3,6,18(22),19-pentaen-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 | 98.65% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.72% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.27% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.71% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.77% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.08% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.99% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.96% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.43% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.97% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.92% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.88% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.86% | 97.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.33% | 99.15% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.63% | 93.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.99% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.41% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.14% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.11% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 80.44% | 89.76% |
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 | 162917032 |
| LOTUS | LTS0100540 |
| wikiData | Q105233042 |