(3S,3aS,5S,9S,10E,11aR)-5,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
| Internal ID | 2e31cf06-9255-4ec1-a6de-9a17b26819d8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (3S,3aS,5S,9S,10E,11aR)-5,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one |
| SMILES (Canonical) | CC1C2CC(C(=C)CCC(C(=CC2OC1=O)C)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]2C[C@@H](C(=C)CC[C@@H](/C(=C/[C@@H]2OC1=O)/C)O)O |
| InChI | InChI=1S/C15H22O4/c1-8-4-5-12(16)9(2)6-14-11(7-13(8)17)10(3)15(18)19-14/h6,10-14,16-17H,1,4-5,7H2,2-3H3/b9-6+/t10-,11-,12-,13-,14-/m0/s1 |
| InChI Key | VROLYSQPOBJAOX-KYKSVKERSA-N |
| Popularity | 0 references 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 | 0.80 |
| There are no found synonyms. |
![2D Structure of (3S,3aS,5S,9S,10E,11aR)-5,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/b3188320-867c-11ee-b7ff-ab47a63ba561.jpg "2D Structure of (3S,3aS,5S,9S,10E,11aR)-5,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.37% | 91.49% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.83% | 96.43% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.45% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.34% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.76% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.00% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.28% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.96% | 99.23% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 82.07% | 91.76% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.82% | 94.80% |
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.
| Artemisia alba |
| PubChem | 162879751 |
| LOTUS | LTS0093288 |
| wikiData | Q105291875 |