Pdildudblulmer-rdtxwamcsa-
| Internal ID | 958ba4a0-925d-47aa-b653-389d3a887584 |
| Taxonomy | Organoheterocyclic compounds > Pyrroloazepines |
| IUPAC Name | (3R,6R)-6-ethyl-2-methylidene-8,18-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraene |
| SMILES (Canonical) | CCC1CCC2C(=C)C3=C(CCN2C1)C4=CC=CC=C4N3 |
| SMILES (Isomeric) | CC[C@@H]1CC[C@@H]2C(=C)C3=C(CCN2C1)C4=CC=CC=C4N3 |
| InChI | InChI=1S/C19H24N2/c1-3-14-8-9-18-13(2)19-16(10-11-21(18)12-14)15-6-4-5-7-17(15)20-19/h4-7,14,18,20H,2-3,8-12H2,1H3/t14-,18-/m1/s1 |
| InChI Key | PDILDUDBLULMER-RDTXWAMCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H24N2 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.193948774 g/mol |
| Topological Polar Surface Area (TPSA) | 19.00 Ų |
| XlogP | 4.00 |
| PDILDUDBLULMER-RDTXWAMCSA- |
| InChI=1/C19H24N2/c1-3-14-8-9-18-13(2)19-16(10-11-21(18)12-14)15-6-4-5-7-17(15)20-19/h4-7,14,18,20H,2-3,8-12H2,1H3/t14-,18-/m1/s1 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.06% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.69% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.29% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.80% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.59% | 97.09% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.80% | 95.51% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.64% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.97% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.42% | 93.40% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.99% | 88.56% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.29% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.18% | 94.45% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.06% | 97.64% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 84.80% | 97.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.37% | 91.71% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 83.71% | 96.42% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.22% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.76% | 98.75% |
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 ngouniensis |
| PubChem | 10779155 |
| LOTUS | LTS0152985 |
| wikiData | Q105206522 |