[(1R,2S,5Z,9S,12R,13R,18S,19S)-1,5,9,13,17,17-hexamethyl-8-oxatetracyclo[10.8.0.02,9.013,18]icos-5-en-19-yl] acetate
| Internal ID | 965b0d93-01b4-4289-a4a5-27aadde7109b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | [(1R,2S,5Z,9S,12R,13R,18S,19S)-1,5,9,13,17,17-hexamethyl-8-oxatetracyclo[10.8.0.02,9.013,18]icos-5-en-19-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H44O3/c1-18-9-10-22-26(6)17-20(30-19(2)28)23-24(3,4)13-8-14-25(23,5)21(26)11-15-27(22,7)29-16-12-18/h12,20-23H,8-11,13-17H2,1-7H3/b18-12-/t20-,21+,22-,23-,25+,26+,27-/m0/s1 |
| InChI Key | BTAWZZWVNLKTFR-XNUSCYBASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.60 g/mol |
| Exact Mass | 416.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,5Z,9S,12R,13R,18S,19S)-1,5,9,13,17,17-hexamethyl-8-oxatetracyclo[10.8.0.02,9.013,18]icos-5-en-19-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6f7d6140-861c-11ee-9412-99fcb2d475ee.jpg "2D Structure of [(1R,2S,5Z,9S,12R,13R,18S,19S)-1,5,9,13,17,17-hexamethyl-8-oxatetracyclo[10.8.0.02,9.013,18]icos-5-en-19-yl] 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.26% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.58% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.69% | 94.45% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.85% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.82% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.51% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.76% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.19% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.15% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.70% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.28% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.86% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.52% | 97.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.81% | 96.95% |
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.
| Pteris pulchra |
| PubChem | 163187542 |
| LOTUS | LTS0220473 |
| wikiData | Q104945498 |