(4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | 719b3d4e-d5d4-4861-9bd6-6b9c794260bb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H58O4/c1-35(2)20-21-37(5)22-23-39(7)27(28(37)25-35)12-14-32-38(6)18-17-33(36(3,4)31(38)16-19-40(32,39)8)44-34(42)15-11-26-10-13-29(41)30(24-26)43-9/h10-13,15,24,28,31-33,41H,14,16-23,25H2,1-9H3 |
| InChI Key | PYCBZWTUQCROEX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H58O4 |
| Molecular Weight | 602.90 g/mol |
| Exact Mass | 602.43351033 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 11.40 |
| 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 | 99.55% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.90% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.37% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.17% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.01% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.12% | 97.09% |
| CHEMBL3194 | P02766 | Transthyretin | 89.82% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.18% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.03% | 85.30% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.95% | 91.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.58% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.42% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.11% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.23% | 89.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.70% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.56% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.99% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.69% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.32% | 93.99% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.12% | 94.78% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.03% | 91.19% |
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.
| Semialarium mexicanum |
| PubChem | 73003107 |
| LOTUS | LTS0106012 |
| wikiData | Q105216508 |