3-Tridecen-1-yne
| Internal ID | 7bab2fd5-6053-4df3-988a-231638ef420f |
| Taxonomy | Hydrocarbons > Unsaturated hydrocarbons > Enynes |
| IUPAC Name | tridec-3-en-1-yne |
| SMILES (Canonical) | CCCCCCCCCC=CC#C |
| SMILES (Isomeric) | CCCCCCCCCC=CC#C |
| InChI | InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1,5,7H,4,6,8-13H2,2H3 |
| InChI Key | DIJCALIAWJLDBT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H22 |
| Molecular Weight | 178.31 g/mol |
| Exact Mass | 178.172150702 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 5.80 |
| 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 | 98.42% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.59% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.38% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.83% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.54% | 92.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.41% | 98.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.27% | 91.81% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 85.40% | 92.51% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.30% | 97.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.89% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.88% | 85.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.35% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.33% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.86% | 96.09% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.75% | 87.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.05% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.02% | 100.00% |
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.
| Schisandra chinensis |
| PubChem | 538033 |
| LOTUS | LTS0232755 |
| wikiData | Q104981405 |