(16-Acetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-8-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
| Internal ID | f0265918-5743-438b-b468-32915e969649 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (16-acetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-8-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate |
| SMILES (Canonical) | CC(=O)OC1CCC(C2C1(C3CCC4C(C3(C(C2)O)C(=O)C4=C)OC(=O)C)C)(C)C |
| SMILES (Isomeric) | CC(=O)OC1CCC(C2C1(C3CCC4C(C3(C(C2)O)C(=O)C4=C)OC(=O)C)C)(C)C |
| InChI | InChI=1S/C24H34O6/c1-12-15-7-8-16-23(6)17(22(4,5)10-9-19(23)29-13(2)25)11-18(27)24(16,20(12)28)21(15)30-14(3)26/h15-19,21,27H,1,7-11H2,2-6H3 |
| InChI Key | KTLWEZXLZPIBMV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H34O6 |
| Molecular Weight | 418.50 g/mol |
| Exact Mass | 418.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (16-Acetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-8-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/ce89a110-86e6-11ee-aa4b-8ba4e45622b4.jpg "2D Structure of (16-Acetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-8-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.54% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.89% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.59% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.66% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.45% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.08% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.02% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.65% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.29% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.21% | 95.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.45% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.92% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.63% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.84% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.34% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.92% | 91.24% |
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.
| Croton kongensis |
| PubChem | 72772748 |
| LOTUS | LTS0021398 |
| wikiData | Q105145850 |