3-ethylidene-9-methoxy-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine
| Internal ID | 9939b88f-3be7-478e-9f02-e2d4019f196e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 3-ethylidene-9-methoxy-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine |
| SMILES (Canonical) | CC=C1CCC2C3=C(CCN2C1)C4=C(N3)C=CC(=C4)OC |
| SMILES (Isomeric) | CC=C1CCC2C3=C(CCN2C1)C4=C(N3)C=CC(=C4)OC |
| InChI | InChI=1S/C18H22N2O/c1-3-12-4-7-17-18-14(8-9-20(17)11-12)15-10-13(21-2)5-6-16(15)19-18/h3,5-6,10,17,19H,4,7-9,11H2,1-2H3 |
| InChI Key | VIDIFMROPRGMQN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22N2O |
| Molecular Weight | 282.40 g/mol |
| Exact Mass | 282.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 28.30 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 3-ethylidene-9-methoxy-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine](https://plantaedb.com/storage/docs/compounds/2023/11/3-ethylidene-9-methoxy-24671212b-hexahydro-1h-indolo23-aquinolizine.jpg "2D Structure of 3-ethylidene-9-methoxy-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.82% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.99% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.74% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.61% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 95.47% | 89.76% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 94.49% | 95.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.78% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.73% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.56% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.40% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.11% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.87% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.44% | 98.95% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 86.33% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.88% | 90.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.74% | 91.71% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.28% | 88.48% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.45% | 98.59% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.11% | 93.31% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.66% | 90.24% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.63% | 99.18% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.19% | 95.89% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.17% | 90.95% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 81.21% | 98.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.97% | 93.18% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 80.53% | 90.71% |
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.
| Alstonia coriacea |
| Alstonia lanceolifera |
| PubChem | 162882855 |
| LOTUS | LTS0231940 |
| wikiData | Q105286767 |