3-[(1,6-dimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione
| Internal ID | 52719d6b-6d5d-4e00-96e3-5d7ad71bfa2a |
| Taxonomy | Organoheterocyclic compounds > Pyrrolines |
| IUPAC Name | 3-[(1,6-dimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione |
| SMILES (Canonical) | CC=CC1C=CC2CC(CCC2C1(C)C(=C3C(=O)C(NC3=O)C(C)O)O)C |
| SMILES (Isomeric) | CC=CC1C=CC2CC(CCC2C1(C)C(=C3C(=O)C(NC3=O)C(C)O)O)C |
| InChI | InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)22(15,4)20(26)17-19(25)18(13(3)24)23-21(17)27/h5-6,8-9,12-16,18,24,26H,7,10-11H2,1-4H3,(H,23,27) |
| InChI Key | MOMBVLIMWZDBMW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31NO4 |
| Molecular Weight | 373.50 g/mol |
| Exact Mass | 373.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 3-[(1,6-dimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/462f3410-8548-11ee-91a8-232f9b480976.jpg "2D Structure of 3-[(1,6-dimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.35% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.38% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.55% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.14% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.96% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.16% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.87% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.75% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.06% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.20% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.16% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.13% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.08% | 90.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.95% | 92.88% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.09% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.03% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.71% | 85.30% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.66% | 93.04% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.13% | 91.07% |
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 | 76184033 |
| LOTUS | LTS0218187 |
| wikiData | Q104171916 |