(1aR,3aR,4R,5R,5'R,7aS,7bS)-5'-(furan-3-yl)-3a-hydroxy-5,7a,7b-trimethylspiro[2,3,5,6-tetrahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-2',7-dione
| Internal ID | 3268070d-6f55-4e46-b914-2e50618cd00c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1aR,3aR,4R,5R,5'R,7aS,7bS)-5'-(furan-3-yl)-3a-hydroxy-5,7a,7b-trimethylspiro[2,3,5,6-tetrahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-2',7-dione |
| SMILES (Canonical) | CC1CC(=O)C2(C3(C(O3)CCC2(C14CC(OC4=O)C5=COC=C5)O)C)C |
| SMILES (Isomeric) | C[C@@H]1CC(=O)[C@@]2([C@]3([C@H](O3)CC[C@@]2([C@@]14C[C@@H](OC4=O)C5=COC=C5)O)C)C |
| InChI | InChI=1S/C20H24O6/c1-11-8-14(21)17(2)18(3)15(26-18)4-6-20(17,23)19(11)9-13(25-16(19)22)12-5-7-24-10-12/h5,7,10-11,13,15,23H,4,6,8-9H2,1-3H3/t11-,13-,15-,17-,18-,19+,20-/m1/s1 |
| InChI Key | DCWMPDIKJVJVTN-SFNRKBCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 89.30 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (1aR,3aR,4R,5R,5'R,7aS,7bS)-5'-(furan-3-yl)-3a-hydroxy-5,7a,7b-trimethylspiro[2,3,5,6-tetrahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-2',7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/a3061370-85c8-11ee-8d56-5138ea998e06.jpg "2D Structure of (1aR,3aR,4R,5R,5'R,7aS,7bS)-5'-(furan-3-yl)-3a-hydroxy-5,7a,7b-trimethylspiro[2,3,5,6-tetrahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-2',7-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.04% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.30% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.81% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.42% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.41% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.30% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.82% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.41% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.24% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.24% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.67% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.49% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.92% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.47% | 89.00% |
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.
| Erigeron canadensis |
| Microglossa pyrifolia |
| Microglossa pyrrhopappa |
| Viola tricolor |
| PubChem | 14733476 |
| LOTUS | LTS0024109 |
| wikiData | Q105263969 |