9-Hexadecenal
| Internal ID | 95c4d022-4292-461b-8c5d-c33b5f7d5247 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes |
| IUPAC Name | (E)-hexadec-9-enal |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCC=O |
| SMILES (Isomeric) | CCCCCC/C=C/CCCCCCCC=O |
| InChI | InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7+ |
| InChI Key | QFPVVMKZTVQDTL-BQYQJAHWSA-N |
| Popularity | 26 references in papers |
| Molecular Formula | C16H30O |
| Molecular Weight | 238.41 g/mol |
| Exact Mass | 238.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 6.10 |
| (E)-hexadec-9-enal |
| E-9-Hexadecenal |
| (e)-9-hexadecenal |
| LMFA06000091 |
| (9E)-9-Hexadecenal |
| (9E)-9-Hexadecenal # |
| SCHEMBL336357 |
| CHEBI:179687 |
| QFPVVMKZTVQDTL-BQYQJAHWSA-N |
| AKOS015901509 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4794 | Q8NER1 | Vanilloid receptor |
35 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.75% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.17% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.94% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.86% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.06% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.25% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.90% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.57% | 96.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.22% | 97.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.00% | 89.34% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.79% | 91.81% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 82.42% | 86.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.91% | 94.73% |
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.
| Acorus calamus var. angustatus |
| Acorus gramineus |