(7-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl) 3-phenylprop-2-enoate
| Internal ID | 7c27a08a-eac5-4377-9319-7cb0fce21056 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (7-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1=C2C(C(CCC2(C(CC1OO)O)C)C(C)C)OC(=O)C=CC3=CC=CC=C3 |
| SMILES (Isomeric) | CC1=C2C(C(CCC2(C(CC1OO)O)C)C(C)C)OC(=O)C=CC3=CC=CC=C3 |
| InChI | InChI=1S/C24H32O5/c1-15(2)18-12-13-24(4)20(25)14-19(29-27)16(3)22(24)23(18)28-21(26)11-10-17-8-6-5-7-9-17/h5-11,15,18-20,23,25,27H,12-14H2,1-4H3 |
| InChI Key | RCNVBRCNVUOFOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O5 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.70 |
| 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 | 97.16% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.92% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.91% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.86% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 95.06% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 94.05% | 94.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.04% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.46% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.65% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 90.94% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.21% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.14% | 95.50% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.04% | 97.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.81% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.45% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.60% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.28% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.79% | 93.56% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.65% | 89.44% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.20% | 93.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.07% | 94.97% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.84% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.51% | 100.00% |
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 |
| PubChem | 162864920 |
| LOTUS | LTS0063650 |
| wikiData | Q105233827 |