[(E)-[(2R,5S)-2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-acetyloxyoxolan-3-ylidene]methyl] acetate
| Internal ID | 753557aa-cf35-4d04-bb92-ec352a899dcb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [(E)-[(2R,5S)-2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-acetyloxyoxolan-3-ylidene]methyl] acetate |
| SMILES (Canonical) | CC(=O)OC=C1CC(OC1CC2C(=C)CCC3C2(CCCC3(C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)O/C=C/1\C[C@@H](O[C@@H]1C[C@H]2C(=C)CC[C@@H]3[C@@]2(CCCC3(C)C)C)OC(=O)C |
| InChI | InChI=1S/C24H36O5/c1-15-8-9-21-23(4,5)10-7-11-24(21,6)19(15)13-20-18(14-27-16(2)25)12-22(29-20)28-17(3)26/h14,19-22H,1,7-13H2,2-6H3/b18-14+/t19-,20+,21-,22+,24+/m0/s1 |
| InChI Key | MCRLOMDGPSFWII-NDJTTWRSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O5 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of [(E)-[(2R,5S)-2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-acetyloxyoxolan-3-ylidene]methyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/47027ce0-838a-11ee-b764-078643965249.jpg "2D Structure of [(E)-[(2R,5S)-2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-acetyloxyoxolan-3-ylidene]methyl] 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 | 98.43% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.22% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.03% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.78% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.93% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.68% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.48% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.92% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.46% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.37% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.29% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.31% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.54% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 80.62% | 97.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.61% | 98.10% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.48% | 97.50% |
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.
| Turraeanthus africanus |
| PubChem | 162942138 |
| LOTUS | LTS0028865 |
| wikiData | Q105161395 |