(4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl) 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 0136c921-03ba-492f-ada2-921e89ec5470 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl) 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)C)C)C)C |
| SMILES (Isomeric) | CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)C)C)C)C |
| InChI | InChI=1S/C39H56O3/c1-34(2)21-22-36(5)23-24-38(7)28(29(36)25-34)14-15-31-37(6)19-18-32(35(3,4)30(37)17-20-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-13,16,25,28,30-32,40H,14-15,17-24H2,1-8H3 |
| InChI Key | KDQKVXOSQODEFX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H56O3 |
| Molecular Weight | 572.90 g/mol |
| Exact Mass | 572.42294564 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 11.70 |
| 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 | 96.76% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.93% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.72% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.86% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.33% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.71% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.87% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.99% | 98.95% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 85.00% | 97.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.90% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.31% | 97.28% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.82% | 93.99% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.55% | 89.67% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.28% | 94.97% |
| CHEMBL3194 | P02766 | Transthyretin | 82.00% | 90.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.83% | 85.00% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 81.79% | 83.65% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.91% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.09% | 95.50% |
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.
| Barringtonia asiatica |
| Barringtonia racemosa |
| PubChem | 73003009 |
| LOTUS | LTS0112760 |
| wikiData | Q105139339 |