4-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-2H-furan-5-one
| Internal ID | 45ca0b3f-1bcc-4c40-89dd-d7965d91fdf3 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 4-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-2H-furan-5-one |
| SMILES (Canonical) | C1CN2CCC3=C(C2CC1C4=CCOC4=O)NC5=CC=CC=C35 |
| SMILES (Isomeric) | C1CN2CCC3=C(C2CC1C4=CCOC4=O)NC5=CC=CC=C35 |
| InChI | InChI=1S/C19H20N2O2/c22-19-13(7-10-23-19)12-5-8-21-9-6-15-14-3-1-2-4-16(14)20-18(15)17(21)11-12/h1-4,7,12,17,20H,5-6,8-11H2 |
| InChI Key | JIWXMEPZBLBKIG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20N2O2 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.152477885 g/mol |
| Topological Polar Surface Area (TPSA) | 45.30 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 4-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-1234671212b-octahydroindolo23-aquinolizin-2-yl-2h-furan-5-one.jpg "2D Structure of 4-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-2H-furan-5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.43% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.35% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.10% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.38% | 88.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.34% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.86% | 97.09% |
| CHEMBL240 | Q12809 | HERG | 92.20% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.75% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.54% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.19% | 99.23% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 88.98% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.61% | 94.45% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.63% | 91.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.28% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.46% | 90.08% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.27% | 95.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.98% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.62% | 98.75% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 85.52% | 81.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.47% | 100.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.41% | 92.98% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.24% | 97.64% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.01% | 90.24% |
| CHEMBL5028 | O14672 | ADAM10 | 81.99% | 97.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.45% | 97.25% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.18% | 96.42% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 80.15% | 97.50% |
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 johnsonii |
| PubChem | 13892227 |
| LOTUS | LTS0134526 |
| wikiData | Q105129416 |