(3aR,9bS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,6,8,9,9b-octahydropyrrolo[2,3-f]quinolin-7-one
| Internal ID | 97dbdec3-6973-4675-b23a-33c63bfae452 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines |
| IUPAC Name | (3aR,9bS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,6,8,9,9b-octahydropyrrolo[2,3-f]quinolin-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26N2O3/c1-22-11-10-20(13-4-6-16(24-2)17(12-13)25-3)9-8-15-14(19(20)22)5-7-18(23)21-15/h4,6,12,19H,5,7-11H2,1-3H3,(H,21,23)/t19-,20-/m1/s1 |
| InChI Key | GDZQQLNIWDPLKC-WOJBJXKFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H26N2O3 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.19434270 g/mol |
| Topological Polar Surface Area (TPSA) | 50.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (3aR,9bS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,6,8,9,9b-octahydropyrrolo[2,3-f]quinolin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/3ar9bs-3a-34-dimethoxyphenyl-1-methyl-23456899b-octahydropyrrolo23-fquinolin-7-one.jpg "2D Structure of (3aR,9bS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,6,8,9,9b-octahydropyrrolo[2,3-f]quinolin-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 | 98.59% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.98% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.80% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.76% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.53% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.44% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.10% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.01% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.52% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.59% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.39% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.14% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.51% | 92.94% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.82% | 93.04% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.59% | 90.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.56% | 95.51% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 81.59% | 98.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.45% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.96% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.50% | 93.00% |
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.
| Mesembryanthemum tortuosum |
| PubChem | 163098374 |
| LOTUS | LTS0197558 |
| wikiData | Q105007041 |