(9-hydroxy-6-methyl-3-methylidene-2-oxo-4,5,6,8,9,9b-hexahydro-3aH-azuleno[4,5-b]furan-9a-yl)methyl acetate
| Internal ID | 78769d4a-b7ef-4bcf-acc8-26b9c4cad86f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Ambrosanolides and secoambrosanolides |
| IUPAC Name | (9-hydroxy-6-methyl-3-methylidene-2-oxo-4,5,6,8,9,9b-hexahydro-3aH-azuleno[4,5-b]furan-9a-yl)methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h6,9,12,14-15,19H,2,4-5,7-8H2,1,3H3 |
| InChI Key | JIHJFJDIALKJHP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O5 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (9-hydroxy-6-methyl-3-methylidene-2-oxo-4,5,6,8,9,9b-hexahydro-3aH-azuleno[4,5-b]furan-9a-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/83e16020-85e7-11ee-9d8a-19af9cf83e73.jpg "2D Structure of (9-hydroxy-6-methyl-3-methylidene-2-oxo-4,5,6,8,9,9b-hexahydro-3aH-azuleno[4,5-b]furan-9a-yl)methyl acetate")
| 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 | 95.97% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.67% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.44% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.75% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.70% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.00% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.60% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.77% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.14% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.88% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.87% | 91.19% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.41% | 83.82% |
| CHEMBL5028 | O14672 | ADAM10 | 80.14% | 97.50% |
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.
| Parthenium tomentosum |
| PubChem | 162953852 |
| LOTUS | LTS0090394 |
| wikiData | Q105129044 |