ambiguine F isonitrile
| Internal ID | 88c29a31-9d64-4c99-ad14-97298f460523 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (9R,10R,11R,12R,13R,15R,16R)-13-chloro-12-ethenyl-11-isocyano-8,8,12,19,19-pentamethyl-6-azapentacyclo[13.3.1.05,18.07,17.011,16]nonadeca-1(18),2,4,7(17)-tetraene-9,10,16-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H31ClN2O3/c1-8-24(6)16(27)12-15-22(2,3)13-10-9-11-14-17(13)18-19(29-14)23(4,5)20(30)21(31)26(24,28-7)25(15,18)32/h8-11,15-16,20-21,29-32H,1,12H2,2-6H3/t15-,16-,20+,21+,24+,25-,26+/m1/s1 |
| InChI Key | UZVWRTZJFCDKBF-OODLVNIASA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C26H31ClN2O3 |
| Molecular Weight | 455.00 g/mol |
| Exact Mass | 454.2023205 g/mol |
| Topological Polar Surface Area (TPSA) | 80.80 Ų |
| XlogP | 3.70 |
| ambiguine F |
| Ambiguine isonitrile F |
| CHEMBL560163 |
| DTXSID101047343 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.03% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.44% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.89% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.42% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.98% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.26% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.35% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.52% | 95.89% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 84.98% | 95.69% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.16% | 88.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.50% | 96.39% |
| CHEMBL240 | Q12809 | HERG | 83.08% | 89.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.42% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.28% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.12% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.86% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.83% | 91.49% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.45% | 94.08% |
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 | 21610117 |
| LOTUS | LTS0100829 |
| wikiData | Q77574154 |