(2R,3R,13bR)-2-methoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-3,11,12-triol
| Internal ID | 0eed544a-f632-44b6-8e4b-2f9551d1c0cb |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (2R,3R,13bR)-2-methoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-3,11,12-triol |
| SMILES (Canonical) | COC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)O)O |
| SMILES (Isomeric) | CO[C@@H]1C[C@]23C(=C[C@H]1O)CCN2CCC4=CC(=C(C=C34)O)O |
| InChI | InChI=1S/C17H21NO4/c1-22-16-9-17-11(7-15(16)21)3-5-18(17)4-2-10-6-13(19)14(20)8-12(10)17/h6-8,15-16,19-21H,2-5,9H2,1H3/t15-,16-,17-/m1/s1 |
| InChI Key | JNEAOYNEZKTYPO-BRWVUGGUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.35 g/mol |
| Exact Mass | 303.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 73.20 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (2R,3R,13bR)-2-methoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-3,11,12-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r13br-2-methoxy-235689-hexahydro-1h-indolo7a1-aisoquinoline-31112-triol.jpg "2D Structure of (2R,3R,13bR)-2-methoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-3,11,12-triol")
| 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 | 98.14% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.41% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.96% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.55% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.79% | 85.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.14% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.75% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.68% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.13% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.33% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.90% | 100.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.40% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.21% | 95.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.16% | 94.00% |
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.
| Erythrina variegata |
| PubChem | 163185606 |
| LOTUS | LTS0084728 |
| wikiData | Q105131852 |