(3aR,4S,6R,6aR,8S,9aR,9bR)-4,6,8-trihydroxy-6-methyl-3,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
| Internal ID | ea364d24-1b0d-4e14-b36b-9ea8de38ecbe |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | (3aR,4S,6R,6aR,8S,9aR,9bR)-4,6,8-trihydroxy-6-methyl-3,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O5/c1-6-9(16)4-8-11(6)13-12(7(2)14(18)20-13)10(17)5-15(8,3)19/h8-13,16-17,19H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12-,13-,15-/m1/s1 |
| InChI Key | OJTYNOWTCBJQSG-WNLYMLEUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.32 g/mol |
| Exact Mass | 280.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of (3aR,4S,6R,6aR,8S,9aR,9bR)-4,6,8-trihydroxy-6-methyl-3,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/b3cfc2e0-8705-11ee-9d8e-19ee0b2f4d56.jpg "2D Structure of (3aR,4S,6R,6aR,8S,9aR,9bR)-4,6,8-trihydroxy-6-methyl-3,9-dimethylidene-3a,4,5,6a,7,8,9a,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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.84% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.74% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.63% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.29% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.00% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.64% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.52% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.36% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.28% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.78% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.78% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.14% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.39% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.23% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.43% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.26% | 96.43% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.24% | 91.49% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.08% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.60% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.42% | 93.03% |
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.
| Ixeris chinensis |
| PubChem | 101364010 |
| LOTUS | LTS0128636 |
| wikiData | Q105193282 |