2-[5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pent-2-enyl]-3-(hydroxymethyl)-2H-furan-5-one
| Internal ID | c60ba884-e2ea-45c6-98b7-72f6a86e9b5f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 2-[5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pent-2-enyl]-3-(hydroxymethyl)-2H-furan-5-one |
| SMILES (Canonical) | CC1=C(C2(CCCC(C2CC1)(C)C)C)CCC(=CCC3C(=CC(=O)O3)CO)CO |
| SMILES (Isomeric) | CC1=C(C2(CCCC(C2CC1)(C)C)C)CCC(=CCC3C(=CC(=O)O3)CO)CO |
| InChI | InChI=1S/C25H38O4/c1-17-6-11-22-24(2,3)12-5-13-25(22,4)20(17)9-7-18(15-26)8-10-21-19(16-27)14-23(28)29-21/h8,14,21-22,26-27H,5-7,9-13,15-16H2,1-4H3 |
| InChI Key | QJXKKRHELODLFT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O4 |
| Molecular Weight | 402.60 g/mol |
| Exact Mass | 402.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 2-[5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pent-2-enyl]-3-(hydroxymethyl)-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/9d993aa0-86e9-11ee-a214-97f9e62a806c.jpg "2D Structure of 2-[5-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pent-2-enyl]-3-(hydroxymethyl)-2H-furan-5-one")
| 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 | 96.98% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.74% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.69% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.33% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.21% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.01% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.90% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.78% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.87% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.10% | 99.23% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.67% | 97.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.80% | 96.43% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.76% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.75% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.36% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.63% | 94.73% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.27% | 95.92% |
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 | 85122002 |
| LOTUS | LTS0079050 |
| wikiData | Q105222958 |