19-epi-Ajmalicine
| Internal ID | d69f30fb-ea93-457a-ade0-aeb871832924 |
| Taxonomy | Alkaloids and derivatives > Yohimbine alkaloids |
| IUPAC Name | methyl (1S,15R,16R,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate |
| SMILES (Canonical) | CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
| SMILES (Isomeric) | C[C@@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
| InChI | InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15+,16-,19+/m1/s1 |
| InChI Key | GRTOGORTSDXSFK-XIEZEKGWSA-N |
| Popularity | 139 references in papers |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 54.60 Ų |
| XlogP | 2.70 |
| 19-epi-Ajmalicine |
| 25532-45-0 |
| CHEBI:801 |
| CHEMBL2079609 |
| 16,17-Didehydro-19beta-methyl-18-oxayohimban-16-carboxylic acid methyl ester |
| methyl (1S,15R,16R,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate |
| 19-Epiajmalicine |
| C11683 |
| (+)-19-Epiajmalicine; (+)-19-epi-Ajmalicine; 19-epi-Ajmalicine |
| SCHEMBL17088321 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
7.1 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.11% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.02% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 91.48% | 89.76% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.16% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.59% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 88.47% | 97.50% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 86.43% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.01% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.39% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.23% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.87% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.16% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.39% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.08% | 89.00% |
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.
| Alstonia yunnanensis |
| Catharanthus roseus |
| Picralima nitida |
| Rauvolfia tetraphylla |
| Rauvolfia verticillata |
| Rauvolfia vomitoria |
| Uncaria africana |
| Uncaria attenuata |
| Uncaria elliptica |
| Vinca herbacea |
| PubChem | 179460 |
| LOTUS | LTS0040697 |
| wikiData | Q27105363 |