2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline
| Internal ID | f613726c-b971-4109-ac6e-238250d5e863 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | 2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline |
| SMILES (Canonical) | COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1 |
| SMILES (Isomeric) | COC1CC23C(=CCN2CCC4=CC(=C(C=C34)OC)OC)C=C1 |
| InChI | InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3 |
| InChI Key | WXVSPYOOFCCEII-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.40 g/mol |
| Exact Mass | 313.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 30.90 Ų |
| XlogP | 2.10 |
| AC1MRPWB |
| 2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline |
| DTXSID00392795 |
| CBA74043 |
| B0005-177886 |
![2D Structure of 2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/21112-trimethoxy-2689-tetrahydro-1h-indolo7a1-aisoquinoline.jpg "2D Structure of 2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 |
600 nM |
Ki |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.57% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.55% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.11% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.07% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.36% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.08% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.00% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.29% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.03% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.79% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.75% | 94.00% |
| CHEMBL6031 | Q9H9B1 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 | 82.77% | 94.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.76% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.36% | 89.62% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.64% | 92.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.15% | 85.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.11% | 90.24% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.73% | 95.12% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.19% | 91.07% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.03% | 93.99% |
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.
| Erythrina flabelliformis |
| Erythrina latissima |
| Erythrina lysistemon |
| Erythrina poeppigiana |
| Erythrina suberosa |
| Erythrina variegata |
| Erythrina velutina |
| PubChem | 3472080 |
| LOTUS | LTS0059287 |
| wikiData | Q82191210 |