3'-(2-hydroxy-2,6-dimethylhept-5-en-3-yl)spiro[1H-quinoline-3,2'-oxirane]-2,4-dione
| Internal ID | 6c1a167f-9a43-4439-b93b-4342705c82ff |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 3'-(2-hydroxy-2,6-dimethylhept-5-en-3-yl)spiro[1H-quinoline-3,2'-oxirane]-2,4-dione |
| SMILES (Canonical) | CC(=CCC(C1C2(O1)C(=O)C3=CC=CC=C3NC2=O)C(C)(C)O)C |
| SMILES (Isomeric) | CC(=CCC(C1C2(O1)C(=O)C3=CC=CC=C3NC2=O)C(C)(C)O)C |
| InChI | InChI=1S/C19H23NO4/c1-11(2)9-10-13(18(3,4)23)16-19(24-16)15(21)12-7-5-6-8-14(12)20-17(19)22/h5-9,13,16,23H,10H2,1-4H3,(H,20,22) |
| InChI Key | LTWXDPJSMIXKPV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.40 g/mol |
| Exact Mass | 329.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 3'-(2-hydroxy-2,6-dimethylhept-5-en-3-yl)spiro[1H-quinoline-3,2'-oxirane]-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-hydroxy-26-dimethylhept-5-en-3-ylspiro1h-quinoline-32-oxirane-24-dione.jpg "2D Structure of 3'-(2-hydroxy-2,6-dimethylhept-5-en-3-yl)spiro[1H-quinoline-3,2'-oxirane]-2,4-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.90% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.18% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.02% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.65% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.63% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 91.91% | 94.08% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.73% | 94.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.90% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.04% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.48% | 99.23% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.79% | 94.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.49% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.46% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.95% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.73% | 97.28% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.95% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.49% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.44% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.36% | 96.61% |
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.
| Haplophyllum tuberculatum |
| PubChem | 73880648 |
| LOTUS | LTS0104922 |
| wikiData | Q105157238 |