5-Ethylidene-4-hydroxy-3-(6-hydroxy-1,3,6-trimethyl-2-prop-1-enyl-2,4a,5,7,8,8a-hexahydronaphthalene-1-carbonyl)pyrrol-2-one
| Internal ID | 8c3d5703-f2a2-45c3-832a-16c6c1121743 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines |
| IUPAC Name | 5-ethylidene-4-hydroxy-3-(6-hydroxy-1,3,6-trimethyl-2-prop-1-enyl-2,4a,5,7,8,8a-hexahydronaphthalene-1-carbonyl)pyrrol-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H31NO4/c1-6-8-15-13(3)11-14-12-22(4,28)10-9-16(14)23(15,5)20(26)18-19(25)17(7-2)24-21(18)27/h6-8,11,14-16,25,28H,9-10,12H2,1-5H3,(H,24,27) |
| InChI Key | KGDKEXQNSMWPCR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO4 |
| Molecular Weight | 385.50 g/mol |
| Exact Mass | 385.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
| 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 | 95.99% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.11% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.28% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.07% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.69% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.75% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.02% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.92% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.90% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.90% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.63% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.48% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.30% | 85.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.99% | 99.23% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.34% | 97.28% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.21% | 96.43% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.36% | 90.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.90% | 93.04% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.39% | 95.64% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.26% | 85.30% |
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.
| There are no matching plants. |
| PubChem | 162816661 |
| LOTUS | LTS0093678 |
| wikiData | Q104170258 |