1,12-Dihydroxy-2,11-dimethyl-7-methylidene-9-(2-methylpropoxy)-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-6-one
| Internal ID | ab0c8739-a2c0-4a6f-a054-40dbd84af7c0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 1,12-dihydroxy-2,11-dimethyl-7-methylidene-9-(2-methylpropoxy)-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-6-one |
| SMILES (Canonical) | CC1=CC2C(C(CC3(C(CC1(O3)O)O)C)OCC(C)C)C(=C)C(=O)O2 |
| SMILES (Isomeric) | CC1=CC2C(C(CC3(C(CC1(O3)O)O)C)OCC(C)C)C(=C)C(=O)O2 |
| InChI | InChI=1S/C19H28O6/c1-10(2)9-23-14-7-18(5)15(20)8-19(22,25-18)11(3)6-13-16(14)12(4)17(21)24-13/h6,10,13-16,20,22H,4,7-9H2,1-3,5H3 |
| InChI Key | COIVGJQSSOZFQJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O6 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 1,12-Dihydroxy-2,11-dimethyl-7-methylidene-9-(2-methylpropoxy)-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/09623220-86e4-11ee-941c-051b7167981a.jpg "2D Structure of 1,12-Dihydroxy-2,11-dimethyl-7-methylidene-9-(2-methylpropoxy)-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.47% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.29% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.22% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.85% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.51% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.46% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.31% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.47% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.25% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.60% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.27% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.78% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.38% | 94.45% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.27% | 97.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.71% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.51% | 100.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.12% | 96.37% |
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.
| Greenmaniella resinosa |
| PubChem | 163082408 |
| LOTUS | LTS0129874 |
| wikiData | Q104967057 |