3,11,14-Trihydroxyoctadec-9-en-12-ynoic acid
| Internal ID | f4024b04-5e95-4d9f-a8ab-99ac9d9e429b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 3,11,14-trihydroxyoctadec-9-en-12-ynoic acid |
| SMILES (Canonical) | CCCCC(C#CC(C=CCCCCCC(CC(=O)O)O)O)O |
| SMILES (Isomeric) | CCCCC(C#CC(C=CCCCCCC(CC(=O)O)O)O)O |
| InChI | InChI=1S/C18H30O5/c1-2-3-9-15(19)12-13-16(20)10-7-5-4-6-8-11-17(21)14-18(22)23/h7,10,15-17,19-21H,2-6,8-9,11,14H2,1H3,(H,22,23) |
| InChI Key | IRDUBXGVWQSMKQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30O5 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 2.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.18% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.33% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.79% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.50% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.48% | 97.29% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.51% | 99.35% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.77% | 92.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.49% | 93.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.69% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.07% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.00% | 96.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.43% | 97.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.30% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.21% | 96.47% |
| CHEMBL268 | P43235 | Cathepsin K | 82.29% | 96.85% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.99% | 85.94% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 81.93% | 95.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.90% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.52% | 91.81% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.18% | 96.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.68% | 92.86% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.27% | 95.50% |
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.
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| There are no matching plants. |
| PubChem | 74318835 |
| LOTUS | LTS0039359 |
| wikiData | Q104169033 |