(4aR,5aS,8aR,13aS,15aS,15bR)-15a-hydroxy-2,4a,5,5a,7,8,13a,15,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Internal ID | 0bd91de3-f1fe-454d-96a5-ef59547677cf |
Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
IUPAC Name | (4aR,5aS,8aR,13aS,15aS,15bR)-15a-hydroxy-2,4a,5,5a,7,8,13a,15,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one |
SMILES (Canonical) | C1CN2CC3=CCOC4(CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75)O |
SMILES (Isomeric) | C1CN2CC3=CCO[C@]4(CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75)O |
InChI | InChI=1S/C21H22N2O3/c24-17-10-21(25)18-13-9-16-20(6-7-22(16)11-12(13)5-8-26-21)14-3-1-2-4-15(14)23(17)19(18)20/h1-5,13,16,18-19,25H,6-11H2/t13-,16-,18+,19-,20+,21-/m0/s1 |
InChI Key | RBPYESYHNGPHER-UVHVQKIOSA-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 | 1.20 |
There are no found synonyms. |
![2D Structure of (4aR,5aS,8aR,13aS,15aS,15bR)-15a-hydroxy-2,4a,5,5a,7,8,13a,15,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one 2D Structure of (4aR,5aS,8aR,13aS,15aS,15bR)-15a-hydroxy-2,4a,5,5a,7,8,13a,15,15b,16-decahydro4,6-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/bee4c620-8619-11ee-8bea-09813d7c2238.jpg)
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 | 95.46% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.23% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.69% | 95.56% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.64% | 82.69% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.58% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 91.39% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.19% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.83% | 85.14% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.51% | 93.04% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.76% | 90.71% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.31% | 95.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.14% | 99.23% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.77% | 93.65% |
CHEMBL3384 | Q16512 | Protein kinase N1 | 82.48% | 80.71% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.14% | 90.00% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.93% | 94.62% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.81% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.82% | 97.25% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.05% | 95.89% |
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 icaja |
PubChem | 162866794 |
LOTUS | LTS0185356 |
wikiData | Q105233257 |