(6aR,7S,8R,10aS)-7-[(3S)-5-hydroxy-3-methylpentyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
| Internal ID | b1867010-0f1e-45d9-b897-9b06341d181f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (6aR,7S,8R,10aS)-7-[(3S)-5-hydroxy-3-methylpentyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one |
| SMILES (Canonical) | CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(C)CCO |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H](C)CCO |
| InChI | InChI=1S/C20H32O3/c1-14(9-12-21)7-10-19(3)15(2)8-11-20-13-23-18(22)16(20)5-4-6-17(19)20/h5,14-15,17,21H,4,6-13H2,1-3H3/t14-,15+,17+,19-,20+/m0/s1 |
| InChI Key | URPINZMXYYKSJU-JQZTVVIASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (6aR,7S,8R,10aS)-7-[(3S)-5-hydroxy-3-methylpentyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2f6d1f80-85fb-11ee-ab74-bb209ee07efa.jpg "2D Structure of (6aR,7S,8R,10aS)-7-[(3S)-5-hydroxy-3-methylpentyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-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 | 98.22% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.45% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.06% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.39% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.23% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.40% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.41% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.11% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.88% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.74% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.63% | 98.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.56% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.48% | 96.47% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.51% | 98.46% |
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.
| Olearia teretifolia |
| PubChem | 162870853 |
| LOTUS | LTS0087676 |
| wikiData | Q105277929 |