CID 14804246
| Internal ID | 04e481f6-a18e-4300-a565-fb15bf0349f8 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (12Z,25Z,29S)-5,16,21,32,33-pentabromo-4,20,29-trihydroxy-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),30,33,36-dodecaene-11,26-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H27Br5N4O9/c35-19-5-15-1-2-27(19)51-28-11-17(7-21(37)30(28)45)9-25(43-50)34(48)41-14-26(44)18-12-22(38)32(23(39)13-18)52-29-10-16(6-20(36)31(29)46)3-4-40-33(47)24(8-15)42-49/h1-2,5-7,10-13,26,44-46,49-50H,3-4,8-9,14H2,(H,40,47)(H,41,48)/b42-24-,43-25-/t26-/m1/s1 |
| InChI Key | YUJCERKJBSZPJE-DAQHDTCKSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C34H27Br5N4O9 |
| Molecular Weight | 1035.10 g/mol |
| Exact Mass | 1033.76539 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
| 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 | 99.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.60% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.19% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.32% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.53% | 97.09% |
| CHEMBL5443 | O00311 | Cell division cycle 7-related protein kinase | 93.39% | 96.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.32% | 90.71% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.86% | 83.57% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.52% | 92.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.97% | 93.04% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 87.79% | 95.20% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.76% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.47% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.31% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.54% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.64% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.13% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.82% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.69% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.90% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.63% | 90.00% |
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 | 14804246 |
| LOTUS | LTS0133001 |
| wikiData | Q105363038 |