(3-Chloro-2-hexa-2,4-diynylidene-4-hydroxy-1,10-dioxaspiro[4.5]decan-8-yl) 3-methylbutanoate
| Internal ID | bdb3d0ba-4c5d-451a-aae5-f0a0a6da53e5 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | (3-chloro-2-hexa-2,4-diynylidene-4-hydroxy-1,10-dioxaspiro[4.5]decan-8-yl) 3-methylbutanoate |
| SMILES (Canonical) | CC#CC#CC=C1C(C(C2(O1)CCC(CO2)OC(=O)CC(C)C)O)Cl |
| SMILES (Isomeric) | CC#CC#CC=C1C(C(C2(O1)CCC(CO2)OC(=O)CC(C)C)O)Cl |
| InChI | InChI=1S/C19H23ClO5/c1-4-5-6-7-8-15-17(20)18(22)19(25-15)10-9-14(12-23-19)24-16(21)11-13(2)3/h8,13-14,17-18,22H,9-12H2,1-3H3 |
| InChI Key | YVJXNMWEYXCJGE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23ClO5 |
| Molecular Weight | 366.80 g/mol |
| Exact Mass | 366.1234015 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (3-Chloro-2-hexa-2,4-diynylidene-4-hydroxy-1,10-dioxaspiro[4.5]decan-8-yl) 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-chloro-2-hexa-24-diynylidene-4-hydroxy-110-dioxaspiro45decan-8-yl-3-methylbutanoate.jpg "2D Structure of (3-Chloro-2-hexa-2,4-diynylidene-4-hydroxy-1,10-dioxaspiro[4.5]decan-8-yl) 3-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.82% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.09% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.49% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.57% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.83% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.42% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.49% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 85.47% | 97.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.90% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.20% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.85% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.83% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.70% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.08% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.85% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.43% | 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.
| Artemisia lactiflora |
| PubChem | 85282968 |
| LOTUS | LTS0003354 |
| wikiData | Q105365460 |