(8-Hydroperoxy-3,10,10-trimethyl-7-methylidenecycloundec-3-en-1-yl) 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 65611d90-9084-42ab-b8b8-512bb2fab5ef |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (8-hydroperoxy-3,10,10-trimethyl-7-methylidenecycloundec-3-en-1-yl) 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1=CCCC(=C)C(CC(CC(C1)OC(=O)C=CC2=CC=C(C=C2)O)(C)C)OO |
| SMILES (Isomeric) | CC1=CCCC(=C)C(CC(CC(C1)OC(=O)C=CC2=CC=C(C=C2)O)(C)C)OO |
| InChI | InChI=1S/C24H32O5/c1-17-6-5-7-18(2)22(29-27)16-24(3,4)15-21(14-17)28-23(26)13-10-19-8-11-20(25)12-9-19/h6,8-13,21-22,25,27H,2,5,7,14-16H2,1,3-4H3 |
| InChI Key | ZDRHNSQPEYXBDI-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 | 4.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.58% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.79% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.59% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.79% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.59% | 91.71% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 90.17% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.59% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.56% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.92% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.62% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.02% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.12% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.86% | 86.33% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 82.62% | 97.53% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.53% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.49% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.36% | 90.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.61% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.98% | 98.75% |
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.
| Bridelia balansae |
| Pilea cavaleriei |
| PubChem | 75058032 |
| LOTUS | LTS0177221 |
| wikiData | Q105185389 |