3a-Hydroxy-9-methyl-3,6-dimethylidene-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one
| Internal ID | 29954883-cc11-4740-98ff-7c35053950a5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | 3a-hydroxy-9-methyl-3,6-dimethylidene-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one |
| SMILES (Canonical) | CC1CCC2C1C3C(CCC2=C)(C(=C)C(=O)O3)O |
| SMILES (Isomeric) | CC1CCC2C1C3C(CCC2=C)(C(=C)C(=O)O3)O |
| InChI | InChI=1S/C15H20O3/c1-8-6-7-15(17)10(3)14(16)18-13(15)12-9(2)4-5-11(8)12/h9,11-13,17H,1,3-7H2,2H3 |
| InChI Key | SCFHNGVHFGOVGF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 3a-Hydroxy-9-methyl-3,6-dimethylidene-4,5,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3a-hydroxy-9-methyl-36-dimethylidene-456a7899a9b-octahydroazuleno45-bfuran-2-one.jpg "2D Structure of 3a-Hydroxy-9-methyl-3,6-dimethylidene-4,5,6a,7,8,9,9a,9b-octahydroazuleno[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 | 95.76% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.68% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.65% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.46% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.66% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.16% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.71% | 93.04% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.61% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.12% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.99% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.45% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.01% | 96.09% |
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.
| Decachaeta ovatifolia |
| PubChem | 162886181 |
| LOTUS | LTS0059550 |
| wikiData | Q105250082 |