3-O-trans-Feruloyleuscaphic acid
| Internal ID | c055e50f-829e-4ee4-a1c6-d4e575323890 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 1,11-dihydroxy-10-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H56O8/c1-23-15-18-40(34(44)45)20-19-37(5)25(32(40)39(23,7)46)11-13-30-36(4)22-27(42)33(35(2,3)29(36)16-17-38(30,37)6)48-31(43)14-10-24-9-12-26(41)28(21-24)47-8/h9-12,14,21,23,27,29-30,32-33,41-42,46H,13,15-20,22H2,1-8H3,(H,44,45)/b14-10+ |
| InChI Key | ZLJNDEAZTHKUBC-GXDHUFHOSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C40H56O8 |
| Molecular Weight | 664.90 g/mol |
| Exact Mass | 664.39751874 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 7.20 |
| 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 | 99.69% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.96% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.31% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.94% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.85% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.60% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.43% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.28% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.39% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.24% | 91.07% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.90% | 99.15% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.90% | 92.98% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.73% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.07% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.89% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.53% | 97.14% |
| CHEMBL3194 | P02766 | Transthyretin | 84.06% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.40% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.08% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.56% | 98.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.47% | 93.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.49% | 91.71% |
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.
| Eriobotrya japonica |
| PubChem | 131751195 |
| LOTUS | LTS0124491 |
| wikiData | Q105378928 |