(1R,11S,12E,17S)-12-ethylidene-4-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
| Internal ID | 7c21334f-1eb9-4dd0-9560-31f83231e325 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | (1R,11S,12E,17S)-12-ethylidene-4-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carbaldehyde |
| SMILES (Canonical) | CC=C1CN2CCC34C2CC1C(=C3NC5=C4C=C(C=C5)OC)C=O |
| SMILES (Isomeric) | C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=C(C=C5)OC)C=O |
| InChI | InChI=1S/C20H22N2O2/c1-3-12-10-22-7-6-20-16-8-13(24-2)4-5-17(16)21-19(20)15(11-23)14(12)9-18(20)22/h3-5,8,11,14,18,21H,6-7,9-10H2,1-2H3/b12-3-/t14-,18-,20+/m0/s1 |
| InChI Key | HGYZMLFMOQSVFN-LSMJLRHGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 41.60 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1R,11S,12E,17S)-12-ethylidene-4-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/7d6fe900-8538-11ee-8b23-f5561b7f73f0.jpg "2D Structure of (1R,11S,12E,17S)-12-ethylidene-4-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carbaldehyde")
| 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 | 98.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.33% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.83% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.72% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.22% | 94.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.98% | 91.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.37% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.76% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.74% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.93% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.93% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.55% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.97% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.87% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.17% | 83.82% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.12% | 90.24% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.94% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.27% | 82.38% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.05% | 95.51% |
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.
| Alstonia lanceolifera |
| PubChem | 163194969 |
| LOTUS | LTS0217769 |
| wikiData | Q105028091 |