CID 71341380
| Internal ID | 11976995-4338-417b-8d77-13e984c7afc1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | 8-decyl-3,4-dihydroxy-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-4-carboxylic acid |
| SMILES (Canonical) | CCCCCCCCCCC1CC2(C(=O)O1)C(C(C(=O)O2)O)(C(=O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCC1CC2(C(=O)O1)C(C(C(=O)O2)O)(C(=O)O)O |
| InChI | InChI=1S/C18H28O8/c1-2-3-4-5-6-7-8-9-10-12-11-17(16(23)25-12)18(24,15(21)22)13(19)14(20)26-17/h12-13,19,24H,2-11H2,1H3,(H,21,22) |
| InChI Key | QUSVCUTZGWKBQJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O8 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.61% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.32% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.75% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.54% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.23% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.84% | 98.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.72% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.59% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.76% | 92.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.26% | 97.09% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.74% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.08% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.59% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.39% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.23% | 97.79% |
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 | 71341380 |
| LOTUS | LTS0196827 |
| wikiData | Q77377463 |