Compound Summary
Compound Information
6-Shogaol
Compound Name: | 6-Shogaol |
Compound CID: | 5281794 |
Synonyms: | 6-Shogaol |
Iupac Name: | (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one |
InChI: | InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+ |
InChIKey: | OQWKEEOHDMUXEO-BQYQJAHWSA-N |
Canonical Smiles: | CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC |
Isomeric Smiles: | CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC |
Molecular Weight: | 276.4 |
Molecular Formula: | C17H24O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
6-Shogaol
Molecular Weight: | 276.4 |
Molecular Formula: | C17H24O3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 9 |
Heavy Atom Count: | 20 |
Complexity: | 299 |
Synonyms
6-Shogaol
Experimental Data
6-Shogaol
Experimental Data Visualization
6-Shogaol
Statistics Data
6-Shogaol
Statistics Data Visualization
6-Shogaol
