ent-9-Hydroxy-15-oxokaur-16-en-19-oic acid
| Internal ID | 5f3eaff4-a018-4b83-be3d-279a0f1616de |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (1R,4S,5R,9R,10R,13R)-10-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC1(CCCC2(C1CCC34C2(CCC(C3)C(=C)C4=O)O)C)C(=O)O |
| SMILES (Isomeric) | C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@]2(CC[C@H](C3)C(=C)C4=O)O)C)C(=O)O |
| InChI | InChI=1S/C20H28O4/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/h13-14,24H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,17-,18-,19+,20-/m1/s1 |
| InChI Key | AURKCYFYZBQUIZ-FIXWDHIASA-N |
| Popularity | 1 reference 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 | 2.80 |
| ent-9-Hydroxy-15-oxokaur-16-en-19-oic acid |
| Pterokaurane L1 |
| (1R,4S,5R,9R,10R,13R)-10-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| AKOS032962332 |
| ent-9-Hydroxy-15-oxo-16-kauren-19-oicacid |
| (4)-9-Hydroxy-15-oxokaur-16-en-18-oic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.88% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.96% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.70% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.22% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.51% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.39% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.04% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.99% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.92% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.39% | 92.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.85% | 93.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.58% | 96.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.00% | 99.23% |
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 | 91895333 |
| LOTUS | LTS0204486 |
| wikiData | Q104919097 |