(14aS)-3,4,11,12-tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[2,1-c][3]benzazepine-6,14-dione
| Internal ID | bb9d6b60-bad4-47ab-b1d2-3f403ef584e6 |
| Taxonomy | Organoheterocyclic compounds > Benzazepines |
| IUPAC Name | (14aS)-3,4,11,12-tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[2,1-c][3]benzazepine-6,14-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H23NO6/c1-26-16-6-5-13-15(22(16)29-4)11-19(24)23-8-7-12-9-17(27-2)18(28-3)10-14(12)21(25)20(13)23/h5-6,9-10,20H,7-8,11H2,1-4H3/t20-/m0/s1 |
| InChI Key | SRADCDOQSQOROE-FQEVSTJZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H23NO6 |
| Molecular Weight | 397.40 g/mol |
| Exact Mass | 397.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 74.30 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (14aS)-3,4,11,12-tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[2,1-c][3]benzazepine-6,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/14as-341112-tetramethoxy-58914a-tetrahydroisoquinolino21-c3benzazepine-614-dione.jpg "2D Structure of (14aS)-3,4,11,12-tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[2,1-c][3]benzazepine-6,14-dione")
| 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 | 97.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.54% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.18% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.14% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.03% | 98.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 92.26% | 92.98% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.33% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.09% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.23% | 95.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.02% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.96% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.75% | 93.40% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.66% | 92.38% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.92% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.84% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.81% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.93% | 89.62% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 80.68% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.18% | 99.17% |
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.
| Abuta bullata |
| PubChem | 101714715 |
| LOTUS | LTS0137914 |
| wikiData | Q105258826 |