10-hydroxy-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 | 7fe2a84e-f079-45fb-b181-2f98944f119d |
| Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
| IUPAC Name | 10-hydroxy-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) | C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=C5C=CC(=C7)O |
| SMILES (Isomeric) | C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=C5C=CC(=C7)O |
| InChI | InChI=1S/C21H22N2O3/c24-12-1-2-15-14(7-12)21-4-5-22-10-11-3-6-26-16-9-18(25)23(15)20(21)19(16)13(11)8-17(21)22/h1-3,7,13,16-17,19-20,24H,4-6,8-10H2 |
| InChI Key | LTUSPDUPSHDPTN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22N2O3 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.16304257 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 10-hydroxy-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/cf6c4d30-85d9-11ee-b756-c19babb1e1bc.jpg "2D Structure of 10-hydroxy-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 |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 98.88% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.50% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.16% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.57% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.76% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.47% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.24% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.04% | 95.62% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 90.65% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.43% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.57% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.75% | 98.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.73% | 99.35% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.02% | 95.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.74% | 94.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.58% | 95.53% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.25% | 93.04% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.88% | 90.24% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.79% | 85.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.99% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.14% | 90.00% |
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 nux-vomica |
| PubChem | 14556483 |
| LOTUS | LTS0118315 |
| wikiData | Q105157184 |