1,2-Dehydrogeissoschizoline
| Internal ID | 86fa7292-8889-495b-809d-52cd5a9a0774 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | [(1R,10S,11S,12S,17S)-12-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraen-10-yl]methanol |
| SMILES (Canonical) | CCC1CN2CCC34C2CC1C(C3=NC5=CC=CC=C45)CO |
| SMILES (Isomeric) | CC[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1[C@@H](C3=NC5=CC=CC=C45)CO |
| InChI | InChI=1S/C19H24N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17,22H,2,7-11H2,1H3/t12-,13+,14+,17+,19-/m1/s1 |
| InChI Key | XJEKUKWZYMNSDW-XTXPVBGVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24N2O |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 35.80 Ų |
| XlogP | 2.00 |
| CHEBI:65736 |
| CHEMBL463735 |
| (15beta,16alpha)-1,2-didehydrocuran-17-ol |
| Q27134219 |
| [(1R,10S,11S,12S,17S)-12-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraen-10-yl]methanol |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.81% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.55% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.01% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.96% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.60% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.42% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.33% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.75% | 91.11% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.17% | 94.08% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.38% | 93.10% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.10% | 94.62% |
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.
| Geissospermum sericeum |
| PubChem | 15538076 |
| LOTUS | LTS0061193 |
| wikiData | Q27134219 |