(4aR,5aS,8aR,13aS,15aS,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
| Internal ID | 0ec0e4a1-356c-48ea-94d7-79110fc54617 |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | (4aR,5aS,8aR,13aS,15aS,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC |
| InChI | InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21+,22-,23+/m0/s1 |
| InChI Key | RRKTZKIUPZVBMF-PQZGIKSLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26N2O4 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.18925731 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (4aR,5aS,8aR,13aS,15aS,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/a0889670-86e9-11ee-b732-3bea569ae41c.jpg "2D Structure of (4aR,5aS,8aR,13aS,15aS,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293232 | Q16637 | Survival motor neuron protein |
794.3 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.33% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 98.06% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.11% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.73% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.86% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.88% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.78% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.35% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.03% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.22% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.28% | 91.11% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.37% | 90.24% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.49% | 91.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.13% | 95.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.08% | 82.38% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.77% | 95.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.48% | 93.40% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.42% | 100.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.17% | 96.86% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.06% | 95.53% |
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.
| Strychnos panamensis |
| PubChem | 51415682 |
| LOTUS | LTS0130731 |
| wikiData | Q105244198 |