[(1S,3E,7E)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | c14b9058-d24a-433b-b556-f01e7c1f5edd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1S,3E,7E)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1=CCC(CC(CC(=CCC1)C)OC(=O)C=CC2=CC=C(C=C2)O)(C)C |
| SMILES (Isomeric) | C/C/1=C\CC(C[C@@H](C/C(=C/CC1)/C)OC(=O)/C=C/C2=CC=C(C=C2)O)(C)C |
| InChI | InChI=1S/C24H32O3/c1-18-6-5-7-19(2)16-22(17-24(3,4)15-14-18)27-23(26)13-10-20-8-11-21(25)12-9-20/h7-14,22,25H,5-6,15-17H2,1-4H3/b13-10+,18-14+,19-7+/t22-/m1/s1 |
| InChI Key | SPBVSJHMHZCQRT-GRGVCVLXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O3 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of [(1S,3E,7E)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1s3e7e-371010-tetramethylcycloundeca-37-dien-1-yl-e-3-4-hydroxyphenylprop-2-enoate.jpg "2D Structure of [(1S,3E,7E)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-yl] (E)-3-(4-hydroxyphenyl)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 | 98.51% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.71% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.00% | 95.56% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.48% | 97.64% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.21% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.14% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.79% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.71% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.59% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.02% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.48% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.21% | 94.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.26% | 93.99% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.41% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.68% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.62% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.30% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.28% | 99.17% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.24% | 90.93% |
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.
| Pilea cavaleriei |
| PubChem | 163191331 |
| LOTUS | LTS0153637 |
| wikiData | Q105257339 |