(1R,4aS,6R)-6-hydroxy-1,4a,6-trimethyl-5-[(E)-3-methyl-5-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
| Internal ID | 9021cd82-477f-49b6-a328-b78ec5551596 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1R,4aS,6R)-6-hydroxy-1,4a,6-trimethyl-5-[(E)-3-methyl-5-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H38O5/c1-16(7-9-18-17(2)15-21(26)30-18)8-10-20-23(3)12-6-13-24(4,22(27)28)19(23)11-14-25(20,5)29/h7,15,18-20,29H,6,8-14H2,1-5H3,(H,27,28)/b16-7+/t18-,19?,20?,23+,24-,25-/m1/s1 |
| InChI Key | IYKWRWFFFLJWCZ-YGEVOBTHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O5 |
| Molecular Weight | 418.60 g/mol |
| Exact Mass | 418.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (1R,4aS,6R)-6-hydroxy-1,4a,6-trimethyl-5-[(E)-3-methyl-5-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d2c2dac0-8667-11ee-a1e6-9f1dd98113f0.jpg "2D Structure of (1R,4aS,6R)-6-hydroxy-1,4a,6-trimethyl-5-[(E)-3-methyl-5-[(2R)-3-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.42% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.25% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.02% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.60% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.70% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.34% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.35% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.50% | 93.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.71% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.67% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.40% | 91.19% |
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.
| Salvia mirzayanii |
| PubChem | 101937331 |
| LOTUS | LTS0057615 |
| wikiData | Q105122797 |