Achalensolide
| Internal ID | 33445d25-b67e-43e2-9b60-1f66d751cafe |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (3aR,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione |
| SMILES (Canonical) | CC1CC2C(CC3=C(C(=O)CC13)C)C(=C)C(=O)O2 |
| SMILES (Isomeric) | C[C@H]1C[C@@H]2[C@H](CC3=C(C(=O)C[C@@H]13)C)C(=C)C(=O)O2 |
| InChI | InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14+/m0/s1 |
| InChI Key | UQNONRHPSCIIJO-SKVKQCJPSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 1.80 |
| (3aR,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione |
| CHEMBL190054 |
| MEGxp0_001629 |
| ACon1_000437 |
| 87302-42-9 |
| AKOS040734186 |
| NCGC00169080-01 |
| NCGC00169080-02 |
| BRD-K35557514-001-01-0 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.02% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.41% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.14% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.92% | 97.25% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.55% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.42% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.20% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.91% | 97.79% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.53% | 96.00% |
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.
| Decachaeta thieleana |
| Stevia achalensis |
| Stevia sarensis |
| PubChem | 21634938 |
| LOTUS | LTS0240071 |
| wikiData | Q105277344 |