2,12-Dimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
| Internal ID | 29486a68-3852-4dcf-8624-1ca0d280615b |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | 2,12-dimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one |
| SMILES (Canonical) | COC1CC23C(=CC(=O)N2CCC4=C3C=C(C=C4)OC)C=C1 |
| SMILES (Isomeric) | COC1CC23C(=CC(=O)N2CCC4=C3C=C(C=C4)OC)C=C1 |
| InChI | InChI=1S/C18H19NO3/c1-21-14-5-3-12-7-8-19-17(20)9-13-4-6-15(22-2)11-18(13,19)16(12)10-14/h3-6,9-10,15H,7-8,11H2,1-2H3 |
| InChI Key | KVQRHUYOAYOFQD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19NO3 |
| Molecular Weight | 297.30 g/mol |
| Exact Mass | 297.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 2,12-Dimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/212-dimethoxy-1289-tetrahydroindolo7a1-aisoquinolin-6-one.jpg "2D Structure of 2,12-Dimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-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 | 98.11% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.94% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.95% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.04% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.94% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.21% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.84% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.68% | 92.94% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.57% | 95.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.97% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.40% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.62% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.17% | 91.07% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.07% | 96.77% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.36% | 91.03% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.29% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.41% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.98% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.86% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.27% | 94.45% |
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.
| Cocculus laurifolius |
| PubChem | 132539037 |
| LOTUS | LTS0113453 |
| wikiData | Q105146668 |