(3aS,7Z,9Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one
| Internal ID | b645ae4a-2a9b-4e6b-bdbd-5daa7d006424 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | (3aS,7Z,9Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h4-6,10,13-14H,3,7-9H2,1-2H3/b5-4-,11-6-/t10?,13-,14+/m0/s1 |
| InChI Key | MMTZAJNKISZWFG-LUIAVFIISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (3aS,7Z,9Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3as7z9z11ar-610-dimethyl-3-methylidene-3a4561111a-hexahydrocyclodecabfuran-2-one.jpg "2D Structure of (3aS,7Z,9Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,6,11,11a-hexahydrocyclodeca[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 | 94.78% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.46% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.80% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.36% | 99.23% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.02% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.35% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.75% | 96.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.53% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.81% | 97.05% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.74% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.04% | 91.11% |
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.
| Cosmos pringlei |
| PubChem | 163051299 |
| LOTUS | LTS0058646 |
| wikiData | Q103813513 |