Uvaol-3beta-yl-caffeate
| Internal ID | aeac19aa-39b6-4114-9713-445a99fbd94d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(3S,4aR,6aR,6bS,8aR,9R,11R,12S,12aS,14aR,14bR)-9-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H56O6/c1-23-20-31(43)39(22-40)19-18-37(6)26(34(39)24(23)2)10-12-30-36(5)16-15-32(35(3,4)29(36)14-17-38(30,37)7)45-33(44)13-9-25-8-11-27(41)28(42)21-25/h8-11,13,21,23-24,29-32,34,40-43H,12,14-20,22H2,1-7H3/b13-9+/t23-,24+,29+,30-,31-,32+,34+,36+,37-,38-,39-/m1/s1 |
| InChI Key | HVTRDYCUOUZNAP-XVVDDNTPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C39H56O6 |
| Molecular Weight | 620.90 g/mol |
| Exact Mass | 620.40768950 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 8.80 |
| 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 | 99.68% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.34% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.79% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.31% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.52% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.50% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.64% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.52% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.95% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.27% | 93.99% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.02% | 96.12% |
| CHEMBL3194 | P02766 | Transthyretin | 84.18% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.97% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.76% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.71% | 90.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.65% | 94.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.02% | 91.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.35% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.20% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.09% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.00% | 99.17% |
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.
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| There are no matching plants. |
| PubChem | 44575772 |
| LOTUS | LTS0231044 |
| wikiData | Q105034436 |