6,9a-Dimethyl-3-methylidene-3a,4,5,6,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
| Internal ID | eadd21f7-a803-439c-94a6-88b04ba5079a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Ambrosanolides and secoambrosanolides |
| IUPAC Name | 6,9a-dimethyl-3-methylidene-3a,4,5,6,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione |
| SMILES (Canonical) | CC1CCC2C(C3(C1=CCC3=O)C)OC(=O)C2=C |
| SMILES (Isomeric) | CC1CCC2C(C3(C1=CCC3=O)C)OC(=O)C2=C |
| InChI | InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6,8,10,13H,2,4-5,7H2,1,3H3 |
| InChI Key | ALDYHLYMNPPSIB-UHFFFAOYSA-N |
| Popularity | 0 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 | 2.10 |
| There are no found synonyms. |
![2D Structure of 6,9a-Dimethyl-3-methylidene-3a,4,5,6,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/69a-dimethyl-3-methylidene-3a45689b-hexahydroazuleno87-bfuran-29-dione.jpg "2D Structure of 6,9a-Dimethyl-3-methylidene-3a,4,5,6,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione")
| 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 | 96.92% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.18% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.31% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.98% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.58% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.18% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.74% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.20% | 99.23% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.52% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.91% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.74% | 93.99% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.41% | 85.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.04% | 98.95% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.69% | 95.92% |
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.
| Ambrosia artemisiifolia |
| Ambrosia hispida |
| PubChem | 5215647 |
| LOTUS | LTS0209409 |
| wikiData | Q104914034 |