(2R,3R,13bS)-2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-3-ol
| Internal ID | d763338f-c8f2-45c9-85f1-35cec372ce01 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (2R,3R,13bS)-2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-3-ol |
| SMILES (Canonical) | COC1CC23C(=CC1O)CCN2CCC4=C3C=C(C=C4)OC |
| SMILES (Isomeric) | CO[C@@H]1C[C@@]23C(=C[C@H]1O)CCN2CCC4=C3C=C(C=C4)OC |
| InChI | InChI=1S/C18H23NO3/c1-21-14-4-3-12-5-7-19-8-6-13-9-16(20)17(22-2)11-18(13,19)15(12)10-14/h3-4,9-10,16-17,20H,5-8,11H2,1-2H3/t16-,17-,18+/m1/s1 |
| InChI Key | IWHSXINBLNSAAY-KURKYZTESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO3 |
| Molecular Weight | 301.40 g/mol |
| Exact Mass | 301.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 41.90 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (2R,3R,13bS)-2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r13bs-212-dimethoxy-235689-hexahydro-1h-indolo7a1-aisoquinolin-3-ol.jpg "2D Structure of (2R,3R,13bS)-2,12-dimethoxy-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 | 98.89% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.64% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.70% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.73% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.87% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.21% | 93.40% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.11% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.20% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.26% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.09% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.00% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.55% | 91.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.10% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.50% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.78% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.51% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.98% | 98.95% |
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.
| Cocculus laurifolius |
| PubChem | 162992005 |
| LOTUS | LTS0134989 |
| wikiData | Q105121647 |