(2S,3R,4R,5R,6S)-2-[[(2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-yl]oxy]-6-methyloxane-3,4,5-triol
| Internal ID | 195a0550-e854-49cf-9530-8df91ab0e031 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[[(2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-yl]oxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C=C3C(=C2)CCN4C35CC(C=CC5=CC4)OC)OC)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)CCN4[C@]35C[C@H](C=CC5=CC4)OC)OC)O)O)O |
| InChI | InChI=1S/C24H31NO7/c1-13-20(26)21(27)22(28)23(31-13)32-19-10-14-6-8-25-9-7-15-4-5-16(29-2)12-24(15,25)17(14)11-18(19)30-3/h4-5,7,10-11,13,16,20-23,26-28H,6,8-9,12H2,1-3H3/t13-,16-,20-,21+,22+,23-,24-/m0/s1 |
| InChI Key | IEZDXVZVKWGJRW-IOJXVEFASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H31NO7 |
| Molecular Weight | 445.50 g/mol |
| Exact Mass | 445.21005233 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4R,5R,6S)-2-[[(2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-yl]oxy]-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/b9561140-8535-11ee-95ce-27ddb958dcec.jpg "2D Structure of (2S,3R,4R,5R,6S)-2-[[(2R,13bS)-2,12-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-11-yl]oxy]-6-methyloxane-3,4,5-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 | 99.12% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 98.00% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.32% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.79% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.55% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.69% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.76% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.15% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.91% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.96% | 82.67% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.24% | 97.31% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.02% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.67% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.11% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.05% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.50% | 97.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.38% | 97.36% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.97% | 97.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.40% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.36% | 100.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.55% | 90.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.49% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.23% | 95.12% |
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 lysistemon |
| PubChem | 162949764 |
| LOTUS | LTS0139778 |
| wikiData | Q105112042 |