(1S,8R,13S)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one
| Internal ID | 6f89e4e2-e8d0-4689-be76-75d0ef9c6a9f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1S,8R,13S)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one |
| SMILES (Canonical) | CC1=CC2C3C(=C(C(=O)O2)C)CCC3(CC1)C |
| SMILES (Isomeric) | CC1=C[C@@H]2[C@@H]3C(=C(C(=O)O2)C)CC[C@@]3(CC1)C |
| InChI | InChI=1S/C15H20O2/c1-9-4-6-15(3)7-5-11-10(2)14(16)17-12(8-9)13(11)15/h8,12-13H,4-7H2,1-3H3/t12-,13+,15+/m1/s1 |
| InChI Key | DGKFETRFKMWAAU-IPYPFGDCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.32 g/mol |
| Exact Mass | 232.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (1S,8R,13S)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s8r13s-1510-trimethyl-7-oxatricyclo6410413trideca-49-dien-6-one.jpg "2D Structure of (1S,8R,13S)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.43% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.10% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.81% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.56% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.05% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.25% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.64% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.50% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.37% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.29% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.79% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.56% | 94.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.23% | 97.33% |
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.
| Achillea crithmifolia |
| Achillea millefolium |
| Schisandra lancifolia |
| Schisandra rubriflora |
| PubChem | 163014274 |
| LOTUS | LTS0075827 |
| wikiData | Q105175118 |