ent-11alpha-Hydroxy-15-oxokaur-16-en-19-oic acid
| Internal ID | 8ceca352-debc-48da-83c0-cc58d9af56b3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC12CCCC(C1CCC34C2C(CC(C3)C(=C)C4=O)O)(C)C(=O)O |
| SMILES (Isomeric) | CC12CCCC(C1CCC34C2C(CC(C3)C(=C)C4=O)O)(C)C(=O)O |
| InChI | InChI=1S/C20H28O4/c1-11-12-9-13(21)15-18(2)6-4-7-19(3,17(23)24)14(18)5-8-20(15,10-12)16(11)22/h12-15,21H,1,4-10H2,2-3H3,(H,23,24) |
| InChI Key | NSFLYGNWNATSHL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 3.10 |
| 57719-81-0 |
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.97% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.62% | 90.17% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.29% | 97.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.35% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.34% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.10% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.66% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.67% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.25% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.10% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.14% | 93.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.45% | 93.03% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 83.42% | 95.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.14% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.68% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.80% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.71% | 91.07% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.03% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.30% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.03% | 95.38% |
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.
| Eupatorium album |
| Stevia ovata |
| PubChem | 14610558 |
| LOTUS | LTS0215873 |
| wikiData | Q105185001 |