Bastadin 14
| Internal ID | c1057563-4310-43f7-b4b0-d4352f09ccc3 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (12E,25E,28E)-5,16,21,32,33-pentabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),28,30,33,36-tridecaene-11,26-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-15-19(11-22(37)30(28)44)13-26(43-49)34(47)40-5-3-17-9-23(38)32(24(39)10-17)51-29-14-18(8-21(36)31(29)45)4-6-41-33(46)25(12-16)42-48/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3+,42-25+,43-26+ |
| InChI Key | HXWATZFIMWEHEG-XDDRAWHZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H25Br5N4O8 |
| Molecular Weight | 1017.10 g/mol |
| Exact Mass | 1015.75483 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | 9.60 |
| CHEMBL442828 |
| BDBM50478481 |
| (12E,25E,28E)-5,16,21,32,33-pentabromo-4,20-dihydroxy-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),28,30,33,36-tridecaene-11,26-dione |
| 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 | 99.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.77% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.29% | 94.45% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 94.32% | 95.20% |
| CHEMBL5443 | O00311 | Cell division cycle 7-related protein kinase | 93.05% | 96.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.97% | 89.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.78% | 83.57% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.42% | 94.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 87.64% | 83.10% |
| CHEMBL240 | Q12809 | HERG | 87.58% | 89.76% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.50% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.27% | 96.77% |
| CHEMBL5145 | P15056 | Serine/threonine-protein kinase B-raf | 83.49% | 97.90% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.36% | 95.64% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.85% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.26% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.20% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.01% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.60% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.16% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.63% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.37% | 90.00% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 80.28% | 88.84% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 80.21% | 81.14% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.18% | 85.11% |
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 | 10260430 |
| LOTUS | LTS0057426 |
| wikiData | Q105035164 |