Compound Summary
Compound Information
oleocanthal
Compound Name: | oleocanthal |
Compound CID: | 11652416 |
Synonyms: | oleocanthal (-)-Oleocanthal 289030-99-5 Deacetoxy ligstroside aglycon UNII-AC7QO6038O More... |
Iupac Name: | 2-(4-hydroxyphenyl)ethyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate |
InChI: | InChI=1S/C17H20O5/c1-2-14(12-19)15(7-9-18)11-17(21)22-10-8-13-3-5-16(20)6-4-13/h2-6,9,12,15,20H,7-8,10-11H2,1H3/b14-2-/t15-/m0/s1 |
InChIKey: | VPOVFCBNUOUZGG-VAKDEWRISA-N |
Canonical Smiles: | CC=C(C=O)C(CC=O)CC(=O)OCCC1=CC=C(C=C1)O |
Isomeric Smiles: | C/C=C(/C=O)\[C@@H](CC=O)CC(=O)OCCC1=CC=C(C=C1)O |
Molecular Weight: | 304.34 |
Molecular Formula: | C17H20O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
oleocanthal
Molecular Weight: | 304.34 |
Molecular Formula: | C17H20O5 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 22 |
Complexity: | 394 |
Synonyms
oleocanthal
| oleocanthal | oleocanthal |
|---|---|
oleocanthal |
(-)-Oleocanthal |
289030-99-5 |
Deacetoxy ligstroside aglycon |
UNII-AC7QO6038O |
AC7QO6038O |
(3S,4E)-4-Formyl-3-(2-oxoethyl)-4-hexenoic acid 2-(4-hydroxyphenyl)ethyl ester |
2-(4-Hydroxyphenyl)ethyl (3S,4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate |
2-(4-hydroxyphenyl)ethyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate |
deacetoxy-oleuropein aglycone |
Oxyresveratrol (cis-) |
deacetoxy ligstroside aglycone |
SCHEMBL137158 |
GTPL6308 |
CHEMBL2172394 |
CHEBI:85673 |
DTXSID40183104 |
(-)-deacetoxy ligstroside aglycon |
(-)-deacetoxy ligstroside aglycone |
BDBM50431471 |
NSC752227 |
NSC-752227 |
4-Hexenoic acid, 4-formyl-3-(2-oxoethyl)-, 2-(4-hydroxyphenyl)ethyl ester, (3S,4E)- |
XO162076 |
Q402613 |
UNII-4BIE8LW022 component VPOVFCBNUOUZGG-VAKDEWRISA-N |
(S,E)-4-Hydroxyphenethyl 4-formyl-3-(2-oxoethyl)hex-4-enoate |
2-(4-hydroxyphenyl)ethyl (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate |
Experimental Data
oleocanthal
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mus musculus | 6.25 | mg/kg | 0 | NS | NMRI | FEMALES | 32084452 | Inactive |
Experimental Data Visualization
oleocanthal
Statistics Data
oleocanthal
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Mus musculus | 0 | 1 | 1 |
Statistics Data Visualization
oleocanthal
