(4,8-Dihydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl) 3-phenylprop-2-enoate
| Internal ID | 182a2cbf-37be-4b7d-a3c3-691a15d789c5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (4,8-dihydroxy-4a,8-dimethyl-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC(C)C1CC(C2(CCCC(C2C1OC(=O)C=CC3=CC=CC=C3)(C)O)C)O |
| SMILES (Isomeric) | CC(C)C1CC(C2(CCCC(C2C1OC(=O)C=CC3=CC=CC=C3)(C)O)C)O |
| InChI | InChI=1S/C24H34O4/c1-16(2)18-15-19(25)23(3)13-8-14-24(4,27)22(23)21(18)28-20(26)12-11-17-9-6-5-7-10-17/h5-7,9-12,16,18-19,21-22,25,27H,8,13-15H2,1-4H3 |
| InChI Key | WIIMMGRJVZSVRB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H34O4 |
| Molecular Weight | 386.50 g/mol |
| Exact Mass | 386.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.27% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.53% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.61% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.97% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.26% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.80% | 95.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.22% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.20% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.50% | 83.82% |
| CHEMBL5028 | O14672 | ADAM10 | 88.56% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.26% | 97.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.07% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.83% | 94.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.46% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.03% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.37% | 99.23% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.59% | 95.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.99% | 94.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.52% | 91.07% |
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.
| Brintonia discoidea |
| Verbesina sordescens |
| PubChem | 162915314 |
| LOTUS | LTS0226096 |
| wikiData | Q105306267 |