(2R,3S,9S,13bS)-2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-3,9,11-triol
| Internal ID | 7af1533d-79c9-4bf7-83a9-0d312d034a74 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (2R,3S,9S,13bS)-2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-3,9,11-triol |
| SMILES (Canonical) | COC1CC23C(=CC1O)CCN2CC(C4=CC(=C(C=C34)OC)O)O |
| SMILES (Isomeric) | CO[C@@H]1C[C@@]23C(=C[C@@H]1O)CCN2C[C@H](C4=CC(=C(C=C34)OC)O)O |
| InChI | InChI=1S/C18H23NO5/c1-23-16-7-12-11(6-14(16)21)15(22)9-19-4-3-10-5-13(20)17(24-2)8-18(10,12)19/h5-7,13,15,17,20-22H,3-4,8-9H2,1-2H3/t13-,15+,17+,18-/m0/s1 |
| InChI Key | MCEJYFLCRIAFPY-NZPGVSJUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO5 |
| Molecular Weight | 333.40 g/mol |
| Exact Mass | 333.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 82.40 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (2R,3S,9S,13bS)-2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-3,9,11-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s9s13bs-212-dimethoxy-235689-hexahydro-1h-indolo7a1-aisoquinoline-3911-triol.jpg "2D Structure of (2R,3S,9S,13bS)-2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline-3,9,11-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 | 98.41% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.53% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.47% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.73% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.64% | 91.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.77% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.81% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.61% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.80% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.72% | 95.56% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.11% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.76% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.52% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.40% | 93.99% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.30% | 91.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.08% | 90.00% |
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 berteroana |
| PubChem | 162955433 |
| LOTUS | LTS0130766 |
| wikiData | Q105161141 |