Lilac aldehyde A
| Internal ID | 17c9b395-1213-43db-8fa9-17fcbeb3a5dd |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | (2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propanal |
| SMILES (Canonical) | CC(C=O)C1CCC(O1)(C)C=C |
| SMILES (Isomeric) | C[C@@H](C=O)[C@@H]1CC[C@@](O1)(C)C=C |
| InChI | InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10+/m0/s1 |
| InChI Key | YPZQHCLBLRWNMJ-LPEHRKFASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.23 g/mol |
| Exact Mass | 168.115029749 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 1.50 |
| (2R,2'S,5'S)-Lilac aldehyde |
| Lilac aldehyde, (2R,2'S,5'S)- |
| UNII-M4F9N3M370 |
| M4F9N3M370 |
| 53447-46-4 |
| 81967-88-6 |
| FEMA no. 4058, (2R,2'S,5'S)- |
| (2R)-2-[(2S,5S)-5-methyl-5-vinyltetrahydrofuran-2-yl]propanal |
| 2-Furanacetaldehyde, 5-ethenyltetrahydro-alpha,5-dimethyl-, (alphar,2S,5S)- |
| 2-Furanacetaldehyde, 5-ethenyltetrahydro-alpha,5-dimethyl-, (2S-(2alpha(S*),5beta))- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.56% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.82% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.82% | 96.77% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.22% | 96.47% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.00% | 93.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.35% | 94.45% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.06% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.03% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.37% | 97.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.58% | 95.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.38% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.95% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.73% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.51% | 98.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.34% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.29% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.29% | 95.89% |
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.
| Actinidia arguta |
| Zanthoxylum schinifolium |
| PubChem | 5462398 |
| LOTUS | LTS0086088 |
| wikiData | Q27103291 |