Taberpsychine
| Internal ID | e2c71e3a-2a93-45f1-8e3e-9ac05e6cd6b9 |
| Taxonomy | Alkaloids and derivatives > Vobasan alkaloids |
| IUPAC Name | (1S,12S,15E,16S)-15-ethylidene-13-methyl-19-oxa-3,13-diazapentacyclo[14.3.1.02,10.04,9.012,17]icosa-2(10),4,6,8-tetraene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24N2O/c1-3-12-10-22(2)18-8-15-13-6-4-5-7-17(13)21-20(15)19-9-14(12)16(18)11-23-19/h3-7,14,16,18-19,21H,8-11H2,1-2H3/b12-3-/t14-,16?,18+,19+/m1/s1 |
| InChI Key | HKVAGGQESSDYDU-MXSXYYJRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24N2O |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 28.30 Ų |
| XlogP | 2.60 |
| 19452-84-7 |
| AKOS040735448 |
| 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 | 97.03% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.11% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.01% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.55% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.98% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.41% | 98.59% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 87.52% | 96.42% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 87.47% | 85.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.75% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.57% | 93.40% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.09% | 88.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.15% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.04% | 91.11% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.99% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.51% | 93.99% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.01% | 97.31% |
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.
| Tabernaemontana africana |
| PubChem | 134715139 |
| LOTUS | LTS0182080 |
| wikiData | Q105029980 |