|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
52
Total Number of Articles : 27
|
| PubChem |
11652416
|
| Molecular Formula |
C17H20O5 |
| SMILES |
C/C=C(/C=O)\[C@@H](CC=O)CC(=O)OCCC1=CC=C(C=C1)O |
| 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 |
| synonyms |
- oleocanthal
- (-)-Oleocanthal
- 289030-99-5
- Deacetoxy ligstroside aglycon
- deacetoxy-oleuropein aglycone
- UNII-AC7QO6038O
- AC7QO6038O
- 2-(4-hydroxyphenyl)ethyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate
- (3S,4E)-4-Formyl-3-(2-oxoethyl)-4-hexenoic acid 2-(4-hydroxyphenyl)ethyl ester
- OLEOCANTHAL [MI]
- 2-(4-Hydroxyphenyl)ethyl (3S,4E)-4-formyl-3-(2-oxoethyl)hex-4-enoate
- deacetoxy ligstroside aglycone
- OLEOCANTHAL, (-)-
- CHEBI:85673
- DTXSID40183104
- (-)-deacetoxy ligstroside aglycon
- (-)-deacetoxy ligstroside aglycone
- 4-Hexenoic acid, 4-formyl-3-(2-oxoethyl)-, 2-(4-hydroxyphenyl)ethyl ester, (3S,4E)-
- 2-(4-hydroxyphenyl)ethyl (3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate
- OLEOCANTHAL [INCI]
- DTXCID10105595
- 2-(4-Hydroxyphenyl)ethyl 4-formyl-3-(2-oxoethyl)hex-4-enoic acid
- (S,E)-4-Hydroxyphenethyl 4-formyl-3-(2-oxoethyl)hex-4-enoate
- Oxyresveratrol (cis-)
- SCHEMBL137158
- GTPL6308
- CHEMBL2172394
- GLXC-20714
- BDBM50431471
- NSC752227
Click to show/hide the synonyms
|
| Properties |
| Property |
Value |
| MW |
304.34 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
10 |
| Exact Mass |
304.13107373 g/mol |
| Monoisotopic Mass |
304.13107373 g/mol |
| Heavy Atom Count |
22 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
394 |
| xlogp |
1.5 |
| Topological Polar Surface Area |
80.7 |
|