(2S)-2-hydroxy-2,4-dimethyl-5-[(2E,4E,6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one
| Internal ID | 188f6b74-ae4a-4824-92e5-3b10e5f8216e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids |
| IUPAC Name | (2S)-2-hydroxy-2,4-dimethyl-5-[(2E,4E,6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)18-17(6)19(21)20(7,22)23-18/h11-14,22H,8-10H2,1-7H3/b15-11+,16-12+/t13-,14-,20-/m0/s1 |
| InChI Key | KZLGFUZEKMOLGG-MTNOHMLPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (2S)-2-hydroxy-2,4-dimethyl-5-[(2E,4E,6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-hydroxy-24-dimethyl-5-2e4e6s8s-468-trimethylundeca-24-dien-2-ylfuran-3-one.jpg "2D Structure of (2S)-2-hydroxy-2,4-dimethyl-5-[(2E,4E,6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]furan-3-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 | 97.10% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.24% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.42% | 98.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.22% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.65% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.10% | 83.82% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.25% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.62% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.00% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.67% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.10% | 94.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.86% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.71% | 93.10% |
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.
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| There are no matching plants. |
| PubChem | 163186832 |
| LOTUS | LTS0123819 |
| wikiData | Q105148313 |