(2R,3R,13bS)-2,11,12-trimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-3-ol
| Internal ID | af2c9b32-9cbe-459b-95f8-dab5c0c5a20b |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (2R,3R,13bS)-2,11,12-trimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-3-ol |
| SMILES (Canonical) | COC1CC23C(=CC1O)CCN2CCC4=CC(=C(C=C34)OC)OC |
| SMILES (Isomeric) | CO[C@@H]1C[C@@]23C(=C[C@H]1O)CCN2CCC4=CC(=C(C=C34)OC)OC |
| InChI | InChI=1S/C19H25NO4/c1-22-16-8-12-4-6-20-7-5-13-9-15(21)18(24-3)11-19(13,20)14(12)10-17(16)23-2/h8-10,15,18,21H,4-7,11H2,1-3H3/t15-,18-,19+/m1/s1 |
| InChI Key | YUWBVDCNLWYPIU-LZQZEXGQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H25NO4 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (2R,3R,13bS)-2,11,12-trimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r13bs-21112-trimethoxy-235689-hexahydro-1h-indolo7a1-aisoquinolin-3-ol.jpg "2D Structure of (2R,3R,13bS)-2,11,12-trimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-3-ol")
| 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 | 98.84% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 97.23% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.60% | 85.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.73% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.37% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.74% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.68% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.51% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.72% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.24% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.49% | 93.40% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.89% | 95.12% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.66% | 91.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.97% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.77% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.46% | 91.07% |
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 crista-galli |
| Erythrina fusca |
| PubChem | 21679848 |
| LOTUS | LTS0246668 |
| wikiData | Q105365038 |