|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
Abscisic aldehyde;
(+)-Abscisic aldehyde;
(+)-Abscisyl aldehyde
|
|---|
|
IUPAC name |
(6S,9Z)-6-Hydroxy-3-oxo-11-apo-epsilon-caroten-11-al
|
|---|
|
Formula |
C15H20O3
|
|---|
|
Molecular Weight |
248.31 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
3 and 2 including one ketone and one aldehyde (5 in total)
|
|---|
Number of
conjugated multiple bonds |
3 and 2 including one ketone and one aldehyde (5 in total)
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
0.959
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
1
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
3
|
|---|
| LipinskiFailures |
0
|
|---|
| Complexity of molecule |
0.158
|
|---|
| Number of heavy atoms |
18
|
|---|
TPSA
(Topological Polar Surface Area) |
54.370 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
|
|---|
|
CAS |
41944-86-9
|
|---|
|
Links to other DB |
|
|---|
