10-Hydroxy-10-[5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]deca-2,4,6,8-tetraenoic acid
| Internal ID | 8fedb53a-bbfb-4a57-aa4e-61fecbac4f4d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 10-hydroxy-10-[5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]deca-2,4,6,8-tetraenoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H17NO6/c1-17-11(10-18)15(22)14(16(17)23)12(19)8-6-4-2-3-5-7-9-13(20)21/h2-9,11,18-19H,10H2,1H3,(H,20,21) |
| InChI Key | KGHUYCPNFGCGNA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H17NO6 |
| Molecular Weight | 319.31 g/mol |
| Exact Mass | 319.10558726 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-10-[5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]deca-2,4,6,8-tetraenoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/10-hydroxy-10-5-hydroxymethyl-1-methyl-24-dioxopyrrolidin-3-ylidenedeca-2468-tetraenoic-acid.jpg "2D Structure of 10-Hydroxy-10-[5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]deca-2,4,6,8-tetraenoic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.97% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.19% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.62% | 95.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.13% | 93.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.86% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162987230 |
| LOTUS | LTS0076926 |
| wikiData | Q104667490 |