(1S,9R,12R)-1-hydroxy-9-methyl-12-propan-2-yl-2,3-dioxatricyclo[7.3.1.05,13]trideca-5(13),7-dien-6-one
| Internal ID | 6b1cb65f-ddf1-46c4-b04b-4a71668363af |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S,9R,12R)-1-hydroxy-9-methyl-12-propan-2-yl-2,3-dioxatricyclo[7.3.1.05,13]trideca-5(13),7-dien-6-one |
| SMILES (Canonical) | CC(C)C1CCC2(C=CC(=O)C3=C2C1(OOC3)O)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@]2(C=CC(=O)C3=C2[C@]1(OOC3)O)C |
| InChI | InChI=1S/C15H20O4/c1-9(2)11-4-6-14(3)7-5-12(16)10-8-18-19-15(11,17)13(10)14/h5,7,9,11,17H,4,6,8H2,1-3H3/t11-,14-,15+/m1/s1 |
| InChI Key | IMGWEKFYJBBSKE-DFBGVHRSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1S,9R,12R)-1-hydroxy-9-methyl-12-propan-2-yl-2,3-dioxatricyclo[7.3.1.05,13]trideca-5(13),7-dien-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/212bbb70-867e-11ee-9e18-5dc7714a8d1d.jpg "2D Structure of (1S,9R,12R)-1-hydroxy-9-methyl-12-propan-2-yl-2,3-dioxatricyclo[7.3.1.05,13]trideca-5(13),7-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.97% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.64% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.54% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.61% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.47% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.84% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.53% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.47% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.53% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.43% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.66% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.66% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.21% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.27% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.29% | 97.14% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.97% | 92.88% |
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.
| Salvia dianthera |
| PubChem | 162932051 |
| LOTUS | LTS0079650 |
| wikiData | Q105115660 |