[(1R,2S,4R,9R,10S,13R)-5,5,9,14-tetramethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl] acetate
| Internal ID | f057ffe1-f021-42ec-aaeb-791d0787524f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [(1R,2S,4R,9R,10S,13R)-5,5,9,14-tetramethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl] acetate |
| SMILES (Canonical) | CC1=CC23CC1CCC2C4(CCCC(C4CC3OC(=O)C)(C)C)C |
| SMILES (Isomeric) | CC1=C[C@]23C[C@H]1CC[C@H]2[C@@]4(CCCC([C@H]4C[C@@H]3OC(=O)C)(C)C)C |
| InChI | InChI=1S/C22H34O2/c1-14-12-22-13-16(14)7-8-17(22)21(5)10-6-9-20(3,4)18(21)11-19(22)24-15(2)23/h12,16-19H,6-11,13H2,1-5H3/t16-,17+,18-,19+,21+,22+/m1/s1 |
| InChI Key | FDYRTDQCHYCUAP-LJOUCLAASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O2 |
| Molecular Weight | 330.50 g/mol |
| Exact Mass | 330.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,4R,9R,10S,13R)-5,5,9,14-tetramethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s4r9r10s13r-55914-tetramethyl-2-tetracyclo11210110049hexadec-14-enyl-acetate.jpg "2D Structure of [(1R,2S,4R,9R,10S,13R)-5,5,9,14-tetramethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl] 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.85% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.53% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.14% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.53% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.11% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.74% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.64% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.50% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.37% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.45% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.29% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.95% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.34% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.30% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.28% | 94.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.15% | 95.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.04% | 93.03% |
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.
| Sideritis trojana |
| PubChem | 162993466 |
| LOTUS | LTS0092257 |
| wikiData | Q104993866 |