(5S)-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid
| Internal ID | 7cf69056-3eca-4aef-9e62-ec80c3fa0109 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (5S)-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carboxylic acid |
| SMILES (Canonical) | C1CC(=O)N2C1C3=C(CC2C(=O)O)C4=CC=CC=C4N3 |
| SMILES (Isomeric) | C1CC(=O)N2C1C3=C(C[C@H]2C(=O)O)C4=CC=CC=C4N3 |
| InChI | InChI=1S/C15H14N2O3/c18-13-6-5-11-14-9(7-12(15(19)20)17(11)13)8-3-1-2-4-10(8)16-14/h1-4,11-12,16H,5-7H2,(H,19,20)/t11?,12-/m0/s1 |
| InChI Key | NVWTUEWEKRBVPS-KIYNQFGBSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C15H14N2O3 |
| Molecular Weight | 270.28 g/mol |
| Exact Mass | 270.10044231 g/mol |
| Topological Polar Surface Area (TPSA) | 73.40 Ų |
| XlogP | 1.10 |
| CHEMBL1542310 |
| HMS2866H03 |
| AKOS032436161 |
| SMR000543409 |
![2D Structure of (5S)-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5s-3-oxo-23561111b-hexahydro-1h-indolizino87-bindole-5-carboxylic-acid.jpg "2D Structure of (5S)-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.49% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.39% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.20% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.86% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.12% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.84% | 99.23% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 88.53% | 94.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.52% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.49% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.80% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.03% | 91.49% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.64% | 88.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.56% | 97.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.01% | 94.62% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.01% | 97.05% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.81% | 83.82% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.02% | 92.98% |
| CHEMBL5028 | O14672 | ADAM10 | 81.01% | 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.
| Cuscuta chinensis |
| PubChem | 16407200 |
| LOTUS | LTS0195701 |
| wikiData | Q104399307 |