Hydroxysenkirkine
| Internal ID | 9e456eb5-8aae-4009-9339-9dc168f3fd6f |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | (1R,4Z,6R,7S,14R,17S)-4-ethylidene-7,17-dihydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24-25H,6-11H2,1-3H3/q+1/b13-4-/t12-,15-,18-,19+,20+/m1/s1 |
| InChI Key | CRWHRMSWJOLABX-OIMJGDGPSA-N |
| Popularity | 12 references in papers |
| Molecular Formula | C19H28NO7+ |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.18657723 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | -0.20 |
| Senkirkine, hydroxy- |
| HYDROXYSENKIRKINE |
| 8,12,18-Trihydroxy-4-methyl-11,16-dioxosenecionanium |
| 6OQV6HU6GI |
| 26782-43-4 |
| Senecionanium, 8,12,18-trihydroxy-4-methyl-11,16-dioxo- |
| 18-Hydroxyrenardine |
| UNII-6OQV6HU6GI |
| HSDB 3493 |
| Hydroxysenkirkine (conjugate acid) |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.31% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.34% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.69% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.66% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.07% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.67% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.53% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 86.12% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.35% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.47% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.45% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.33% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.61% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.91% | 95.93% |
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.
| Packera anonyma |
| Senecio laricifolius |
| PubChem | 76957522 |
| LOTUS | LTS0100409 |
| wikiData | Q104968961 |