Heptadeca-9,16-dien-7-one
| Internal ID | 012b790f-8e98-4971-87e7-4ea5d9d8a514 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones |
| IUPAC Name | heptadeca-9,16-dien-7-one |
| SMILES (Canonical) | CCCCCCC(=O)CC=CCCCCCC=C |
| SMILES (Isomeric) | CCCCCCC(=O)CC=CCCCCCC=C |
| InChI | InChI=1S/C17H30O/c1-3-5-7-9-10-11-12-14-16-17(18)15-13-8-6-4-2/h3,12,14H,1,4-11,13,15-16H2,2H3 |
| InChI Key | KMCMOPKLVWWDPS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H30O |
| Molecular Weight | 250.40 g/mol |
| Exact Mass | 250.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 6.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.32% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.30% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.14% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.02% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.79% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.06% | 97.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.04% | 96.95% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 87.60% | 95.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.11% | 97.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.62% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.56% | 91.11% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.93% | 87.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.65% | 91.81% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.07% | 95.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.85% | 90.17% |
| CHEMBL240 | Q12809 | HERG | 81.61% | 89.76% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.02% | 94.33% |
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.
| Cladanthus mixtus |
| PubChem | 76451230 |
| LOTUS | LTS0068953 |
| wikiData | Q105142920 |