(3-Ethenyl-2,10-dihydroxy-3,4a,7,7,10a-pentamethyl-5-oxo-1,2,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-8-yl) 2-methylbut-2-enoate
| Internal ID | 3e751f20-60ad-4f48-b0bf-7caa879b26c4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3-ethenyl-2,10-dihydroxy-3,4a,7,7,10a-pentamethyl-5-oxo-1,2,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-8-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC(C2(C3CC(C(OC3(C(=O)CC2C1(C)C)C)(C)C=C)O)C)O |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CC(C2(C3CC(C(OC3(C(=O)CC2C1(C)C)C)(C)C=C)O)C)O |
| InChI | InChI=1S/C25H38O6/c1-9-14(3)21(29)30-20-13-18(27)24(7)15(22(20,4)5)11-19(28)25(8)16(24)12-17(26)23(6,10-2)31-25/h9-10,15-18,20,26-27H,2,11-13H2,1,3-8H3 |
| InChI Key | FFRSPGWBSDVOSO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O6 |
| Molecular Weight | 434.60 g/mol |
| Exact Mass | 434.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (3-Ethenyl-2,10-dihydroxy-3,4a,7,7,10a-pentamethyl-5-oxo-1,2,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-8-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/23bdd820-84c3-11ee-a736-2389ba520aa3.jpg "2D Structure of (3-Ethenyl-2,10-dihydroxy-3,4a,7,7,10a-pentamethyl-5-oxo-1,2,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-8-yl) 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.47% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.74% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.67% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.38% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.00% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.27% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.11% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.45% | 85.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.43% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.23% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.07% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.78% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.43% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.01% | 91.24% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.86% | 82.69% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.22% | 83.82% |
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.
| Helichrysum ambiguum |
| PubChem | 162982992 |
| LOTUS | LTS0262490 |
| wikiData | Q104994633 |