(1R,12S,13S,17R,19S)-16-ethylidene-4,6-dimethoxy-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene
| Internal ID | 7e52c3e1-7c60-4875-8f45-0ca42a90c8e1 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | (1R,12S,13S,17R,19S)-16-ethylidene-4,6-dimethoxy-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24N2O3/c1-4-11-9-23-16-8-21-15-5-12(24-2)6-17(25-3)19(15)22-20(21)26-10-14(16)13(11)7-18(21)23/h4-6,13-14,16,18H,7-10H2,1-3H3/t13-,14-,16-,18-,21+/m0/s1 |
| InChI Key | HBPGSKLHBXLGBP-QHQGFIJISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 43.30 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1R,12S,13S,17R,19S)-16-ethylidene-4,6-dimethoxy-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/b37b42a0-86e2-11ee-b8ef-63abbdcc9be8.jpg "2D Structure of (1R,12S,13S,17R,19S)-16-ethylidene-4,6-dimethoxy-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene")
| 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 | 98.26% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.75% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.91% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.67% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.03% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.45% | 94.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 89.33% | 95.12% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.44% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.77% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.70% | 96.00% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 84.59% | 92.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.42% | 91.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.56% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.06% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.20% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.48% | 89.62% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.43% | 95.83% |
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.
| Gardneria ovata |
| PubChem | 162889303 |
| LOTUS | LTS0121175 |
| wikiData | Q105025420 |