(1R,12S,13R,14E,19S,21S)-14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-triene
| Internal ID | 48740e62-4702-4eca-9ab0-6ece124cd418 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | (1R,12S,13R,14E,19S,21S)-14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-triene |
| SMILES (Canonical) | CC=C1CN2CCC34C2CC1C5C3N(COC5)C6=CC=CC=C46 |
| SMILES (Isomeric) | C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1[C@H]5[C@@H]3N(COC5)C6=CC=CC=C46 |
| InChI | InChI=1S/C20H24N2O/c1-2-13-10-21-8-7-20-16-5-3-4-6-17(16)22-12-23-11-15(19(20)22)14(13)9-18(20)21/h2-6,14-15,18-19H,7-12H2,1H3/b13-2-/t14-,15-,18-,19-,20+/m0/s1 |
| InChI Key | ACLXALRUPZZRNK-BDKJJDICSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 15.70 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1R,12S,13R,14E,19S,21S)-14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-triene](https://plantaedb.com/storage/docs/compounds/2023/11/3a22c180-855d-11ee-a011-7fd7e8d0bc74.jpg "2D Structure of (1R,12S,13R,14E,19S,21S)-14-ethylidene-10-oxa-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-triene")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.82% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.35% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.74% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.12% | 93.40% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.73% | 93.65% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.73% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.03% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.01% | 98.95% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 83.79% | 95.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.37% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.34% | 97.50% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.70% | 93.81% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.33% | 96.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.17% | 90.00% |
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 variabilis |
| PubChem | 21763840 |
| LOTUS | LTS0266941 |
| wikiData | Q104909177 |