ent-15beta-Angeloyloxy-7alpha,9alpha-dihydroxy-kaur-16-en-19-oic acid
| Internal ID | 91efdfea-a664-425b-b7cb-a418d90fb9cd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,2S,4S,5R,9R,10R,13R,15S)-2,10-dihydroxy-5,9-dimethyl-15-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H36O6/c1-6-14(2)20(27)31-19-15(3)16-8-11-25(30)23(5)10-7-9-22(4,21(28)29)17(23)12-18(26)24(19,25)13-16/h6,16-19,26,30H,3,7-13H2,1-2,4-5H3,(H,28,29)/b14-6-/t16-,17-,18+,19+,22-,23-,24-,25-/m1/s1 |
| InChI Key | YOTJIOFPPBIQPT-DCYNMUGFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H36O6 |
| Molecular Weight | 432.50 g/mol |
| Exact Mass | 432.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.90 |
| (5beta,7beta,8alpha,9beta,10alpha,13alpha,15alpha)-7,9-dihydroxy-15-{[(2Z)-2-methylbut-2-enoyl]oxy}kaur-16-en-18-oic acid |
| InChI=1/C25H36O6/c1-6-14(2)20(27)31-19-15(3)16-8-11-25(30)23(5)10-7-9-22(4,21(28)29)17(23)12-18(26)24(19,25)13-16/h6,16-19,26,30H,3,7-13H2,1-2,4-5H3,(H,28,29)/b14-6-/t16?,17-,18+,19+,22-,23-,24-,25-/m1/s |
| 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 | 89.90% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.98% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.55% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.51% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.20% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.36% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.24% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.46% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.42% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.92% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.48% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.53% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.41% | 94.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.30% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.02% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.88% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.67% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.65% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.62% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.31% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.68% | 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.
| Oyedaea verbesinoides |
| PubChem | 643679 |
| LOTUS | LTS0127351 |
| wikiData | Q105351516 |