methyl (Z)-5-[(1R,2S,4aS,6R,8aS)-2-formyl-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-2-enoate
| Internal ID | 21df83c2-bbc6-48f4-83db-04c3c0aa8e00 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl (Z)-5-[(1R,2S,4aS,6R,8aS)-2-formyl-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H34O4/c1-14(12-19(24)25-5)6-8-16-15(13-22)7-9-17-20(2,3)18(23)10-11-21(16,17)4/h12-13,15-18,23H,6-11H2,1-5H3/b14-12-/t15-,16-,17-,18-,21+/m1/s1 |
| InChI Key | NLFGWQYFQZMKDW-UVLONSTCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H34O4 |
| Molecular Weight | 350.50 g/mol |
| Exact Mass | 350.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of methyl (Z)-5-[(1R,2S,4aS,6R,8aS)-2-formyl-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/351de920-861f-11ee-9bf0-5f9e6cfa5e02.jpg "2D Structure of methyl (Z)-5-[(1R,2S,4aS,6R,8aS)-2-formyl-6-hydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.89% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.82% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.29% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.40% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.70% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.54% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.54% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.06% | 90.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.12% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.40% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.52% | 95.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.98% | 100.00% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.91% | 97.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.45% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.91% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 80.34% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.32% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.14% | 92.50% |
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.
| Ayapana amygdalina |
| PubChem | 162919200 |
| LOTUS | LTS0157507 |
| wikiData | Q105181307 |