[(1R,3S,4E,7E,11S,12R)-3-hydroxy-4,8,12-trimethyl-16-methylidene-14-oxo-13-oxabicyclo[10.4.2]octadeca-4,7-dien-11-yl] acetate
| Internal ID | c88e8af3-f4ed-4dd5-8569-b010f899a86c |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | [(1R,3S,4E,7E,11S,12R)-3-hydroxy-4,8,12-trimethyl-16-methylidene-14-oxo-13-oxabicyclo[10.4.2]octadeca-4,7-dien-11-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H34O5/c1-15-7-6-8-16(2)20(25)14-19-11-12-23(5,28-22(26)13-17(19)3)21(10-9-15)27-18(4)24/h7-8,19-21,25H,3,6,9-14H2,1-2,4-5H3/b15-7+,16-8+/t19-,20+,21+,23-/m1/s1 |
| InChI Key | LWIKHSRMXAERNW-UDUPLGDDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H34O5 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [(1R,3S,4E,7E,11S,12R)-3-hydroxy-4,8,12-trimethyl-16-methylidene-14-oxo-13-oxabicyclo[10.4.2]octadeca-4,7-dien-11-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/07ab68e0-8844-11ee-ae7f-7f10e1521e01.jpg "2D Structure of [(1R,3S,4E,7E,11S,12R)-3-hydroxy-4,8,12-trimethyl-16-methylidene-14-oxo-13-oxabicyclo[10.4.2]octadeca-4,7-dien-11-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 | 98.21% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.17% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.22% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.76% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.29% | 96.38% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.11% | 89.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.91% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.16% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.84% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.81% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.41% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.83% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.57% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.52% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.07% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 83.56% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.23% | 91.07% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.98% | 96.43% |
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 | 163194091 |
| LOTUS | LTS0053645 |
| wikiData | Q105158324 |