[(1R,5R,6R,8R,9R,10S,12R,14S,16R)-5-formyl-10-hydroxy-5-methyl-11-methylidene-15-oxo-8-pentacyclo[10.3.2.01,6.09,14.09,16]heptadecanyl] acetate
| Internal ID | 6bbe5506-54e8-428b-b979-9ed1df78d81a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | [(1R,5R,6R,8R,9R,10S,12R,14S,16R)-5-formyl-10-hydroxy-5-methyl-11-methylidene-15-oxo-8-pentacyclo[10.3.2.01,6.09,14.09,16]heptadecanyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O5/c1-11-13-7-14-19(26)21-6-4-5-20(3,10-23)15(21)9-17(27-12(2)24)22(14,18(11)25)16(21)8-13/h10,13-18,25H,1,4-9H2,2-3H3/t13-,14+,15+,16-,17+,18-,20-,21-,22+/m0/s1 |
| InChI Key | ZDNMDOAXDDWWQL-BPDBNSKVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O5 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of [(1R,5R,6R,8R,9R,10S,12R,14S,16R)-5-formyl-10-hydroxy-5-methyl-11-methylidene-15-oxo-8-pentacyclo[10.3.2.01,6.09,14.09,16]heptadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/9428bd60-861c-11ee-ab59-b94f15d32610.jpg "2D Structure of [(1R,5R,6R,8R,9R,10S,12R,14S,16R)-5-formyl-10-hydroxy-5-methyl-11-methylidene-15-oxo-8-pentacyclo[10.3.2.01,6.09,14.09,16]heptadecanyl] 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 | 96.47% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.00% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.69% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.03% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.58% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.75% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.28% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.24% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.57% | 93.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.33% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.19% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.06% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.62% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 81.24% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.47% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.27% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.06% | 99.23% |
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.
| Delphinium campylocentrum |
| PubChem | 163043798 |
| LOTUS | LTS0191789 |
| wikiData | Q105372436 |