7-(1,2-Dihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadeca-9,13-dien-10-yl)hepta-2,4,6-trienoic acid
| Internal ID | a98c8177-8e34-429f-8fbb-85952fed85f8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 7-(1,2-dihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadeca-9,13-dien-10-yl)hepta-2,4,6-trienoic acid |
| SMILES (Canonical) | CC1CCCC(C2(C3C(C=CC2=O)OC(=C3C(=O)O1)C=CC=CC=CC(=O)O)O)O |
| SMILES (Isomeric) | CC1CCCC(C2(C3C(C=CC2=O)OC(=C3C(=O)O1)C=CC=CC=CC(=O)O)O)O |
| InChI | InChI=1S/C22H24O8/c1-13-7-6-9-16(23)22(28)17(24)12-11-15-20(22)19(21(27)29-13)14(30-15)8-4-2-3-5-10-18(25)26/h2-5,8,10-13,15-16,20,23,28H,6-7,9H2,1H3,(H,25,26) |
| InChI Key | JKARFACNOWLYIZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O8 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 7-(1,2-Dihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadeca-9,13-dien-10-yl)hepta-2,4,6-trienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3aa79760-85d2-11ee-a141-9b6cd6051131.jpg "2D Structure of 7-(1,2-Dihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadeca-9,13-dien-10-yl)hepta-2,4,6-trienoic 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.94% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.21% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.50% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.17% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.52% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.71% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.67% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.36% | 97.05% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.40% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.92% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.30% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 80.96% | 97.50% |
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 | 72835165 |
| LOTUS | LTS0100722 |
| wikiData | Q105130101 |