(6-Acetyloxy-5-formyl-5,9,13-trimethyl-16-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl) 2-methylbut-2-enoate
| Internal ID | ce089bc6-aadd-4d65-b5df-a17d0d055bde |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (6-acetyloxy-5-formyl-5,9,13-trimethyl-16-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl) 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O5/c1-7-17(2)22(30)32-23-24(4)11-8-20-25(5)12-10-21(31-18(3)29)26(6,16-28)19(25)9-13-27(20,23)15-14-24/h7,14-16,19-21,23H,8-13H2,1-6H3 |
| InChI Key | ZJCUHMXXNASLSK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H38O5 |
| Molecular Weight | 442.60 g/mol |
| Exact Mass | 442.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (6-Acetyloxy-5-formyl-5,9,13-trimethyl-16-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/6ffc21e0-860e-11ee-814a-05041aba1f60.jpg "2D Structure of (6-Acetyloxy-5-formyl-5,9,13-trimethyl-16-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl) 2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.29% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.34% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.16% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.55% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.48% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.00% | 90.17% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 84.84% | 95.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.46% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.94% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.84% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.72% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.23% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.48% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 80.78% | 97.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.36% | 85.30% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162896204 |
| LOTUS | LTS0091986 |
| wikiData | Q105377792 |