(14-Hydroxy-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 | b6ff8791-71cc-481f-9ada-f084f6737e4e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (14-hydroxy-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)O)OC(=O)C3=C)COC(=O)C |
| SMILES (Isomeric) | CC1=CCCC2(C(O2)CC3C(C(C(=CCC1)C)O)OC(=O)C3=C)COC(=O)C |
| InChI | InChI=1S/C22H30O6/c1-13-7-5-9-14(2)19(24)20-17(15(3)21(25)27-20)11-18-22(28-18,10-6-8-13)12-26-16(4)23/h8-9,17-20,24H,3,5-7,10-12H2,1-2,4H3 |
| InChI Key | KORREFUCEHZSEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O6 |
| Molecular Weight | 390.50 g/mol |
| Exact Mass | 390.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (14-Hydroxy-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/a09a8460-8325-11ee-8f2f-23aaeeb22796.jpg "2D Structure of (14-Hydroxy-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 | 98.38% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.12% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.31% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.53% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.23% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.67% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.57% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.39% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.01% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.10% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.23% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.85% | 91.49% |
| CHEMBL5028 | O14672 | ADAM10 | 84.67% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.64% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.49% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.73% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.68% | 94.73% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.34% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.58% | 97.79% |
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 | 73818594 |
| LOTUS | LTS0109419 |
| wikiData | Q105143967 |