Azuleno(6,5-b)furan-2(3H)-one, decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methylene-, (3aR,4aS,5R,7S,7aS,8R,9aS)-
| Internal ID | 227126fc-1291-427d-bcce-e059404fac52 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Ambrosanolides and secoambrosanolides |
| IUPAC Name | (3aS,5R,6S,8R,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one |
| SMILES (Canonical) | CC1CC2C(CC3(C1C(CC3O)O)C)C(=C)C(=O)O2 |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2[C@H](C[C@]3(C1[C@H](C[C@H]3O)O)C)C(=C)C(=O)O2 |
| InChI | InChI=1S/C15H22O4/c1-7-4-11-9(8(2)14(18)19-11)6-15(3)12(17)5-10(16)13(7)15/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9-,10+,11+,12-,13?,15-/m1/s1 |
| InChI Key | BPUNWVGCTMEMKQ-UACVIJCNSA-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 | 1.70 |
| 6754-35-4 |
| NSC 85244 |
| Ambros-11(13)-en-12-oic acid, 2alpha,4alpha,8alpha-trihydroxy-,gamma-lactone |
| 5-Azuleneacetic acid, decahydro-1,3,6-trihydroxy-3a,8-dimethyl-alpha-methylene-, gamma-lactone |
| Azuleno(6,5-b)furan-2(3H)-one, decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methylene-, (3aR,4aS,5R,7S,7aS,8R,9aS)- |
| Azuleno(6,5-b)furan-2(3H)-one, decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4abeta,5alpha,7alpha,7aalpha,8alpha,9abeta))- |
| Decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2(3H)-one (3aR-(3aalpha,4abeta,5alpha,7alpha,7aalpha,8alpha,9abeta))- |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.34% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.78% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.38% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.66% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.44% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.33% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.01% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.87% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.70% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.04% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.45% | 90.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.29% | 92.94% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.22% | 97.79% |
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.
| Gaillardia aristata |
| Gaillardia pulchella |
| PubChem | 50990212 |
| LOTUS | LTS0019384 |
| wikiData | Q104397649 |