(5aR,7S,11bS,11cS)-7-ethoxy-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indole
| Internal ID | d4674fbd-c2b5-4bc8-ac0f-9e964ddc2e2e |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Homolycorine-type amaryllidaceae alkaloids |
| IUPAC Name | (5aR,7S,11bS,11cS)-7-ethoxy-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H27NO4/c1-5-24-20-14-11-17(23-4)16(22-3)10-13(14)18-15(25-20)7-6-12-8-9-21(2)19(12)18/h6,10-11,15,18-20H,5,7-9H2,1-4H3/t15-,18-,19-,20+/m1/s1 |
| InChI Key | DGLMQLKBFKVPKX-XLNTUCKNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H27NO4 |
| Molecular Weight | 345.40 g/mol |
| Exact Mass | 345.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (5aR,7S,11bS,11cS)-7-ethoxy-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indole](https://plantaedb.com/storage/docs/compounds/2023/11/e7780a70-86aa-11ee-9413-d7c25f214828.jpg "2D Structure of (5aR,7S,11bS,11cS)-7-ethoxy-9,10-dimethoxy-1-methyl-3,5,5a,7,11b,11c-hexahydro-2H-isochromeno[3,4-g]indole")
| 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 | 99.39% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.13% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.88% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.62% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.18% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.93% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.82% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.67% | 89.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.20% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.84% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.69% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.35% | 97.36% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.12% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.02% | 92.62% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.62% | 91.96% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.34% | 95.56% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.26% | 96.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.18% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.79% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.05% | 97.09% |
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.
| Lycoris radiata |
| PubChem | 197213 |
| LOTUS | LTS0102082 |
| wikiData | Q76084771 |