(5R,10S,12S)-12-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one
| Internal ID | e2c668b4-ca86-4d8a-af1b-505bf9f1fbf2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (5R,10S,12S)-12-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one |
| SMILES (Canonical) | CC1=C2CC3C(O3)(CCC4C(O4)(CC2(OC1=O)O)C)C |
| SMILES (Isomeric) | CC1=C2CC3[C@](O3)(CCC4[C@@](O4)(C[C@@]2(OC1=O)O)C)C |
| InChI | InChI=1S/C15H20O5/c1-8-9-6-11-13(2,19-11)5-4-10-14(3,18-10)7-15(9,17)20-12(8)16/h10-11,17H,4-7H2,1-3H3/t10?,11?,13-,14+,15+/m1/s1 |
| InChI Key | HHGREWJPFBZWTH-UFUHOSPJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.32 g/mol |
| Exact Mass | 280.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 71.60 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (5R,10S,12S)-12-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/5682e3c0-8716-11ee-8b96-338d4afcccbd.jpg "2D Structure of (5R,10S,12S)-12-hydroxy-5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.03,5.08,10]pentadec-1(15)-en-14-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.22% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.14% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.19% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.65% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.99% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.79% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.78% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.48% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.03% | 82.69% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.40% | 97.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.25% | 93.00% |
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.
| Smyrnium olusatrum |
| PubChem | 162887373 |
| LOTUS | LTS0200849 |
| wikiData | Q105028280 |