methyl (E,8S)-8-hydroxy-10-[(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl]dec-9-enoate
| Internal ID | c699044d-c08e-46fb-9a21-05b0b12afcb1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | methyl (E,8S)-8-hydroxy-10-[(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl]dec-9-enoate |
| SMILES (Canonical) | CC1C(C=CC1=O)C=CC(CCCCCCC(=O)OC)O |
| SMILES (Isomeric) | C[C@@H]1[C@H](C=CC1=O)/C=C/[C@H](CCCCCCC(=O)OC)O |
| InChI | InChI=1S/C17H26O4/c1-13-14(10-12-16(13)19)9-11-15(18)7-5-3-4-6-8-17(20)21-2/h9-15,18H,3-8H2,1-2H3/b11-9+/t13-,14+,15+/m1/s1 |
| InChI Key | PYSYKQGONWWFCR-QTMGJVGHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O4 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of methyl (E,8S)-8-hydroxy-10-[(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl]dec-9-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-e8s-8-hydroxy-10-1s5r-5-methyl-4-oxocyclopent-2-en-1-yldec-9-enoate.jpg "2D Structure of methyl (E,8S)-8-hydroxy-10-[(1S,5R)-5-methyl-4-oxocyclopent-2-en-1-yl]dec-9-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.65% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.94% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.51% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.92% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.92% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.51% | 85.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.56% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.57% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.14% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.91% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.11% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.07% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.35% | 96.00% |
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.
| Lemna trisulca |
| PubChem | 101635705 |
| LOTUS | LTS0200748 |
| wikiData | Q105216770 |