Vermiculinic acid
| Internal ID | 7e229324-3080-4efd-83e3-3e5ca10c866d |
| Taxonomy | Organic acids and derivatives > Keto acids and derivatives > Medium-chain keto acids and derivatives |
| IUPAC Name | (E,7S)-7-[(2E,7E)-4,9-dioxodeca-2,7-dienoyl]oxy-4,9-dioxodec-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O8/c1-14(21)5-3-4-6-16(23)9-12-20(27)28-18(13-15(2)22)10-7-17(24)8-11-19(25)26/h3,5,8-9,11-12,18H,4,6-7,10,13H2,1-2H3,(H,25,26)/b5-3+,11-8+,12-9+/t18-/m0/s1 |
| InChI Key | BXDWMBHVQJFBPQ-DYAGYSKXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H24O8 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | -0.10 |
| CCRIS 6975 |
| BRN 5829476 |
| (S-(E,E,E))-4,9-Dioxo-2,7-decadienoic acid,6-carboxy-4-oxo-1-(2-oxopropyl)-5-hexenyl ester |
| (S-(E,E,E))-4,9-Dioxo-6-carboxy-4-oxo-1-(2-oxopropyl)-5-hexenyl ester 2,7-decadienoic acid |
| 146517-84-2 |
| 2,7-Decadienoic acid, 4,9-dioxo-, 6-carboxy-4-oxo-1-(2-oxopropyl)-5-hexenyl ester, (S-(E,E,E))- |
| (E,7S)-7-[(2E,7E)-4,9-dioxodeca-2,7-dienoyl]oxy-4,9-dioxodec-2-enoic acid |
| Vermiculinate |
| (2E,7S)-7-(((2E,7E)-4,9-dioxodeca-2,7-dienoyl)oxy)-4,9-dioxodec-2-enoate |
| (2E,7S)-7-{[(2E,7E)-4,9-dioxodeca-2,7-dienoyl]oxy}-4,9-dioxodec-2-enoate |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.49% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.83% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.42% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.19% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.15% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.11% | 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.
| There are no matching plants. |
| PubChem | 6440374 |
| LOTUS | LTS0031045 |
| wikiData | Q77511033 |