[(1R,3R,5S,14R,15R)-14-acetyloxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl acetate
| Internal ID | 4f63e9c2-ae1c-459f-af2e-01f8e43df7bd |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | [(1R,3R,5S,14R,15R)-14-acetyloxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl acetate |
| SMILES (Canonical) | CC1=CCCC2(C(O2)CC3C(C(C(=CCC1)C)OC(=O)C)OC(=O)C3=C)COC(=O)C |
| SMILES (Isomeric) | CC1=CCC[C@@]2([C@H](O2)C[C@H]3[C@H]([C@@H](C(=CCC1)C)OC(=O)C)OC(=O)C3=C)COC(=O)C |
| InChI | InChI=1S/C24H32O7/c1-14-8-6-10-15(2)21(29-18(5)26)22-19(16(3)23(27)30-22)12-20-24(31-20,11-7-9-14)13-28-17(4)25/h9-10,19-22H,3,6-8,11-13H2,1-2,4-5H3/t19-,20-,21-,22-,24+/m1/s1 |
| InChI Key | VPEKGBXHSVTOSK-MOGNJTFLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O7 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 91.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [(1R,3R,5S,14R,15R)-14-acetyloxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a208ebe0-868a-11ee-819a-7107f581aaa0.jpg "2D Structure of [(1R,3R,5S,14R,15R)-14-acetyloxy-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-5-yl]methyl 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 | 99.10% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.84% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.63% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.33% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.23% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.89% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.76% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.67% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.49% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 85.69% | 97.50% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 85.22% | 91.65% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.67% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.63% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.62% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.50% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.14% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.03% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.84% | 89.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.79% | 94.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.58% | 98.03% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.88% | 94.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.85% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.09% | 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.
| There are no matching plants. |
| PubChem | 163052492 |
| LOTUS | LTS0067906 |
| wikiData | Q105290733 |