(5'R,6aS,7R,8R,10aS)-5'-(furan-3-yl)-8-methylspiro[5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione
| Internal ID | bc06024d-02e5-4ee8-82ab-6c53a653707f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (5'R,6aS,7R,8R,10aS)-5'-(furan-3-yl)-8-methylspiro[5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione |
| SMILES (Canonical) | CC1CCC23COC(=O)C2=CCCC3C14CC(OC4=O)C5=COC=C5 |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]14C[C@@H](OC4=O)C5=COC=C5 |
| InChI | InChI=1S/C20H22O5/c1-12-5-7-19-11-24-17(21)14(19)3-2-4-16(19)20(12)9-15(25-18(20)22)13-6-8-23-10-13/h3,6,8,10,12,15-16H,2,4-5,7,9,11H2,1H3/t12-,15-,16+,19-,20-/m1/s1 |
| InChI Key | HMAABAHMPJEWDJ-KQFONWOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 65.70 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (5'R,6aS,7R,8R,10aS)-5'-(furan-3-yl)-8-methylspiro[5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5c22b3e0-85d1-11ee-a8a0-5db43d777367.jpg "2D Structure of (5'R,6aS,7R,8R,10aS)-5'-(furan-3-yl)-8-methylspiro[5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.29% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.19% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.57% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.83% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.72% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.86% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.61% | 82.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.75% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.33% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.26% | 97.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.70% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.38% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.94% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.27% | 94.00% |
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.
| Baccharis linearifolia subsp. chilco |
| Baccharis tricuneata |
| PubChem | 162957467 |
| LOTUS | LTS0206203 |
| wikiData | Q105030428 |