[(2S,3R,5S,8Z,12S)-3,8,12-trimethyl-15-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadeca-1(15),8,13-trien-2-yl] acetate
| Internal ID | a4505512-2129-4cef-9bdd-998db8ba7c68 |
| Taxonomy | Organoheterocyclic compounds > Heteroaromatic compounds |
| IUPAC Name | [(2S,3R,5S,8Z,12S)-3,8,12-trimethyl-15-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadeca-1(15),8,13-trien-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H32O4/c1-13(2)17-12-18-15(4)9-7-8-14(3)10-11-19-22(6,26-19)21(20(17)25-18)24-16(5)23/h8,12-13,15,19,21H,7,9-11H2,1-6H3/b14-8-/t15-,19-,21-,22+/m0/s1 |
| InChI Key | MVULDMBCESYPJZ-GFPFHYDESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 52.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,5S,8Z,12S)-3,8,12-trimethyl-15-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadeca-1(15),8,13-trien-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0a52ecf0-86bd-11ee-9b7c-edb203508da2.jpg "2D Structure of [(2S,3R,5S,8Z,12S)-3,8,12-trimethyl-15-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadeca-1(15),8,13-trien-2-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 | 98.89% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.44% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.03% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.50% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.30% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.34% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.08% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.23% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.84% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.79% | 96.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.68% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.03% | 96.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.79% | 96.00% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 83.66% | 91.65% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.44% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.37% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.49% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.79% | 95.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.70% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.35% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.63% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.42% | 91.07% |
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.
| There are no matching plants. |
| PubChem | 101844254 |
| LOTUS | LTS0138108 |
| wikiData | Q105208385 |