(1-acetyloxy-3-ethenyl-5,6-dihydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-10-yl) acetate
| Internal ID | 5fd94a05-5057-4b77-8227-40c14e66d7db |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1-acetyloxy-3-ethenyl-5,6-dihydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-10-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H38O7/c1-9-22(6)12-15(29-13(2)25)18-23(7)16(30-14(3)26)10-11-21(4,5)19(23)17(27)20(28)24(18,8)31-22/h9,15-20,27-28H,1,10-12H2,2-8H3 |
| InChI Key | XMWJWJZNNKGCGF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H38O7 |
| Molecular Weight | 438.60 g/mol |
| Exact Mass | 438.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1-acetyloxy-3-ethenyl-5,6-dihydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-10-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/eeecc3f0-8664-11ee-a545-bb5a8a89ccd0.jpg "2D Structure of (1-acetyloxy-3-ethenyl-5,6-dihydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-10-yl) 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.69% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.23% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.71% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.54% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.45% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.78% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.85% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.84% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.41% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.62% | 97.28% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.56% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.48% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.07% | 97.25% |
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.
| Ptychanthus striatus |
| PubChem | 73810075 |
| LOTUS | LTS0157087 |
| wikiData | Q105331470 |