[15-(5-Acetyloxy-6-methylhepta-1,6-dien-2-yl)-7,7,12,16-tetramethyl-6-oxo-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | 1ac6d217-b16e-4996-815b-50cefa56c034 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [15-(5-acetyloxy-6-methylhepta-1,6-dien-2-yl)-7,7,12,16-tetramethyl-6-oxo-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H50O5/c1-20(2)24(38-22(4)35)11-10-21(3)29-25(39-23(5)36)18-32(9)27-13-12-26-30(6,7)28(37)14-15-33(26)19-34(27,33)17-16-31(29,32)8/h24-27,29H,1,3,10-19H2,2,4-9H3 |
| InChI Key | WCFSVOIQLMOWGB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H50O5 |
| Molecular Weight | 538.80 g/mol |
| Exact Mass | 538.36582469 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of [15-(5-Acetyloxy-6-methylhepta-1,6-dien-2-yl)-7,7,12,16-tetramethyl-6-oxo-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c6b14a40-8652-11ee-a1e6-539dcbc8b26f.jpg "2D Structure of [15-(5-Acetyloxy-6-methylhepta-1,6-dien-2-yl)-7,7,12,16-tetramethyl-6-oxo-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 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 | 97.55% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.83% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.63% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.57% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.93% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.03% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.65% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.05% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.72% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.67% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.24% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.59% | 100.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.49% | 94.97% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.42% | 91.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.26% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.85% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.76% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.64% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.63% | 100.00% |
| CHEMBL4105786 | P41182 | B-cell lymphoma 6 protein | 80.04% | 92.86% |
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.
| Parthenium argentatum |
| PubChem | 78385334 |
| LOTUS | LTS0198492 |
| wikiData | Q105301412 |