Demethoxycarbonyl 3,14-dihydrogambirtannine
| Internal ID | 2788dce6-14e7-4498-acac-c68cc433ec35 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (1S)-1,2,3,10,11,12,14,21-octahydroyohimban |
| SMILES (Canonical) | C1CN2CC3=CC=CC=C3CC2C4C1C5=CC=CC=C5N4 |
| SMILES (Isomeric) | C1CN2CC3=CC=CC=C3C[C@H]2C4C1C5=CC=CC=C5N4 |
| InChI | InChI=1S/C19H20N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h1-8,16,18-20H,9-12H2/t16?,18-,19?/m0/s1 |
| InChI Key | JJJTUFPBCJFSOI-AVAKVYKDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20N2 |
| Molecular Weight | 276.40 g/mol |
| Exact Mass | 276.162648646 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 3.60 |
| demethoxycarbonyl 3,14-dihydrogambirtannine |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.66% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.48% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.58% | 98.95% |
| CHEMBL228 | P31645 | Serotonin transporter | 91.23% | 95.51% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.20% | 93.40% |
| CHEMBL240 | Q12809 | HERG | 90.78% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.40% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.20% | 95.62% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.28% | 95.88% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.02% | 96.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.93% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.41% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.13% | 95.89% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.82% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.95% | 93.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.50% | 89.62% |
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.
| Strychnos johnsonii |
| PubChem | 44559927 |
| LOTUS | LTS0260918 |
| wikiData | Q105129693 |