[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
| Internal ID | d54d356a-4469-47cf-a12d-c6d806d3b319 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | [(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H34O3/c1-17(2)21-14-16-25(4)15-6-7-18(3)23(25)24(21)28-22(26)13-10-19-8-11-20(27-5)12-9-19/h8-13,17,21,23-24H,3,6-7,14-16H2,1-2,4-5H3/b13-10+/t21-,23+,24-,25+/m0/s1 |
| InChI Key | PIGCDLQMEKUJAC-IBZVUWSZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H34O3 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/8ee7a240-8531-11ee-89ad-e3de504e3744.jpg "2D Structure of [(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] (E)-3-(4-methoxyphenyl)prop-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 | 97.76% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.14% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.03% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.81% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.80% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.16% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.92% | 93.99% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.82% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.97% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.79% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.25% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.22% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.46% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.29% | 96.12% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.11% | 95.50% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.31% | 95.92% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.09% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.85% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.31% | 91.03% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.28% | 94.97% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.46% | 89.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.49% | 94.08% |
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.
| There are no matching plants. |
| PubChem | 11406442 |
| LOTUS | LTS0116078 |
| wikiData | Q105209488 |