CID 162846079
| Internal ID | 71f5496f-9b37-44bc-9c1a-23cfdc7b3186 |
| Taxonomy | Alkaloids and derivatives > Gelsemium alkaloids |
| IUPAC Name | |
| SMILES (Canonical) | CC1C2(O1)C=NC3CC4(C5CC2C3CO5)C6=C(C=C(C=C6)OC)N(C4=O)OC |
| SMILES (Isomeric) | CC1C2(O1)C=NC3CC4(C5CC2C3CO5)C6=C(C=C(C=C6)OC)N(C4=O)OC |
| InChI | InChI=1S/C21H24N2O5/c1-11-21(28-11)10-22-16-8-20(18-7-15(21)13(16)9-27-18)14-5-4-12(25-2)6-17(14)23(26-3)19(20)24/h4-6,10-11,13,15-16,18H,7-9H2,1-3H3 |
| InChI Key | GQITWRWCYFXTNO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24N2O5 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 0.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.81% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.00% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.96% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 91.98% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.22% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.03% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.42% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.85% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.77% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.14% | 97.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.14% | 95.53% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.08% | 96.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.47% | 85.11% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.75% | 92.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.34% | 92.62% |
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.
| Gelsemium elegans |
| PubChem | 162846079 |
| LOTUS | LTS0144912 |
| wikiData | Q105015417 |