ent-9-Hydroxy-15-oxokauran-19-oic acid
| Internal ID | 2313afb5-b406-4824-bbe3-2fcc2ecd558b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,4S,5R,9R,10R,13R,14R)-10-hydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC1C2CCC3(C4(CCCC(C4CCC3(C2)C1=O)(C)C(=O)O)C)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H]2CC[C@]3([C@@]4(CCC[C@@]([C@H]4CC[C@]3(C2)C1=O)(C)C(=O)O)C)O |
| InChI | InChI=1S/C20H30O4/c1-12-13-5-10-20(24)18(3)8-4-7-17(2,16(22)23)14(18)6-9-19(20,11-13)15(12)21/h12-14,24H,4-11H2,1-3H3,(H,22,23)/t12-,13-,14-,17-,18-,19+,20-/m1/s1 |
| InChI Key | KMVZHTJBTBTQAN-FSQOVGCKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 2.90 |
| ent-9-Hydroxy-15-oxokauran-19-oic acid |
| (1R,4S,5R,9R,10R,13R,14R)-10-hydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| 1H-2,10a-Ethanophenanthrene, kauran-18-oic acid deriv. |
| AKOS032961694 |
| FS-9032 |
| ent-9-Hydroxy-15-oxo-19-kauranoicacid |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.70% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.09% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.60% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.02% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.36% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.91% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.79% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.57% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.28% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.66% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.42% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.73% | 98.95% |
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.
| Pteris semipinnata |
| PubChem | 91895332 |
| LOTUS | LTS0029594 |
| wikiData | Q105143226 |