(1R,3R,4Z,8S,10S,11S)-8-(2-amino-4-methoxyphenyl)-4-ethylidene-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one
| Internal ID | 4a7ae052-1f72-4395-b131-1d720892effb |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Phenylpyrrolidines |
| IUPAC Name | (1R,3R,4Z,8S,10S,11S)-8-(2-amino-4-methoxyphenyl)-4-ethylidene-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one |
| SMILES (Canonical) | CC=C1CN2C3CC(C2=O)(C4CC1C3CO4)C5=C(C=C(C=C5)OC)N |
| SMILES (Isomeric) | C/C=C/1\CN2[C@H]3C[C@@](C2=O)([C@H]4C[C@@H]1[C@@H]3CO4)C5=C(C=C(C=C5)OC)N |
| InChI | InChI=1S/C20H24N2O3/c1-3-11-9-22-17-8-20(19(22)23,18-7-13(11)14(17)10-25-18)15-5-4-12(24-2)6-16(15)21/h3-6,13-14,17-18H,7-10,21H2,1-2H3/b11-3+/t13-,14-,17-,18+,20-/m0/s1 |
| InChI Key | GJTBZLZKFLDAQJ-WSIGHSHASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H24N2O3 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 64.80 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (1R,3R,4Z,8S,10S,11S)-8-(2-amino-4-methoxyphenyl)-4-ethylidene-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/53218ed0-85ab-11ee-a7c9-bd74011cdefc.jpg "2D Structure of (1R,3R,4Z,8S,10S,11S)-8-(2-amino-4-methoxyphenyl)-4-ethylidene-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one")
| 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 | 97.91% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.90% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.82% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.72% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.33% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.18% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.92% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.48% | 94.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 88.47% | 93.18% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.81% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.14% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.70% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.48% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.00% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.91% | 91.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.63% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.32% | 90.24% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.19% | 91.07% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.09% | 96.12% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.06% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.59% | 91.19% |
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.
| Gelsemium elegans |
| PubChem | 122183792 |
| LOTUS | LTS0167167 |
| wikiData | Q105009551 |