1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid
| Internal ID | c62e9d91-57cd-4278-a8a2-79f46a0f02e9 |
| Taxonomy | Organoheterocyclic compounds > Indolizidines |
| IUPAC Name | 1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid |
| SMILES (Canonical) | CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)O)C5=CC=CC=C5NC4=O |
| SMILES (Isomeric) | CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)O)C5=CC=CC=C5NC4=O |
| InChI | InChI=1S/C20H22N2O4/c1-11-13-9-22-7-6-20(15-4-2-3-5-16(15)21-19(20)25)17(22)8-12(13)14(10-26-11)18(23)24/h2-5,10-13,17H,6-9H2,1H3,(H,21,25)(H,23,24) |
| InChI Key | BLXUPISDXRFTCK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N2O4 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.15795719 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d87b5610-8639-11ee-a7a5-0924ef6d5e4b.jpg "2D Structure of 1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.81% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.83% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.16% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.49% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.12% | 94.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.01% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.95% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.19% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.07% | 98.95% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.98% | 95.88% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.88% | 94.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.35% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.27% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.19% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.15% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.48% | 97.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.37% | 100.00% |
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.
| Uncaria longiflora |
| Uncaria sinensis |
| PubChem | 5318600 |
| LOTUS | LTS0156558 |
| wikiData | Q103816846 |