6a,9a-Dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,7,9b-hexahydroazuleno[4,5-b]furan-2-one
| Internal ID | 96f19512-b39f-4fd2-ba8e-856d7b441d78 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | 6a,9a-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,7,9b-hexahydroazuleno[4,5-b]furan-2-one |
| SMILES (Canonical) | CC1C2CCC(=C)C3(CC=C(C3(C2OC1=O)O)C)O |
| SMILES (Isomeric) | CC1C2CCC(=C)C3(CC=C(C3(C2OC1=O)O)C)O |
| InChI | InChI=1S/C15H20O4/c1-8-4-5-11-10(3)13(16)19-12(11)15(18)9(2)6-7-14(8,15)17/h6,10-12,17-18H,1,4-5,7H2,2-3H3 |
| InChI Key | DWWAGGJXTFLIFO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 6a,9a-Dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,7,9b-hexahydroazuleno[4,5-b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6a9a-dihydroxy-39-dimethyl-6-methylidene-33a4579b-hexahydroazuleno45-bfuran-2-one.jpg "2D Structure of 6a,9a-Dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,7,9b-hexahydroazuleno[4,5-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.25% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.12% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.46% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.15% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.15% | 94.80% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.81% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.08% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.76% | 86.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.21% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.16% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.21% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.49% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.68% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.58% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.25% | 91.49% |
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.
| Ursinia nana |
| PubChem | 162983983 |
| LOTUS | LTS0181737 |
| wikiData | Q104990799 |