(3R,3aS,4S,5E,9R,11aS)-4,9-dihydroxy-3,6-dimethyl-10-methylidene-3,3a,4,7,8,9,11,11a-octahydrocyclodeca[b]furan-2-one
| Internal ID | 4e0a3232-7d95-4f6f-b9e5-7f2d91825891 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (3R,3aS,4S,5E,9R,11aS)-4,9-dihydroxy-3,6-dimethyl-10-methylidene-3,3a,4,7,8,9,11,11a-octahydrocyclodeca[b]furan-2-one |
| SMILES (Canonical) | CC1C2C(CC(=C)C(CCC(=CC2O)C)O)OC1=O |
| SMILES (Isomeric) | C[C@@H]1[C@@H]2[C@H](CC(=C)[C@@H](CC/C(=C/[C@@H]2O)/C)O)OC1=O |
| InChI | InChI=1S/C15H22O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6,10-14,16-17H,2,4-5,7H2,1,3H3/b8-6+/t10-,11-,12+,13+,14+/m1/s1 |
| InChI Key | AMBNTPYCDHUUJH-GFNKKNRCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.33 g/mol |
| Exact Mass | 266.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (3R,3aS,4S,5E,9R,11aS)-4,9-dihydroxy-3,6-dimethyl-10-methylidene-3,3a,4,7,8,9,11,11a-octahydrocyclodeca[b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/43927140-860d-11ee-9ceb-9b034a7b4e86.jpg "2D Structure of (3R,3aS,4S,5E,9R,11aS)-4,9-dihydroxy-3,6-dimethyl-10-methylidene-3,3a,4,7,8,9,11,11a-octahydrocyclodeca[b]furan-2-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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.60% | 94.80% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 92.75% | 86.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.85% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.03% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.72% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.14% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.09% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.41% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.82% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.74% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.74% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.42% | 97.25% |
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.
| Seriphidium szovitzianum |
| PubChem | 163189703 |
| LOTUS | LTS0059294 |
| wikiData | Q104914507 |