|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
β-Homocyclocitral;
beta-homocyclocitral
|
|---|
|
IUPAC name |
8-Apo-19-nor-beta-caroten-8-al
|
|---|
|
Formula |
C11H18O
|
|---|
|
Molecular Weight |
166.254 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
An aroma component of Asakusa-nori (Ref.623).
|
|---|
Number of
conjugated double bonds |
0
|
|---|
Number of
conjugated multiple bonds |
0
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
3.131
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
0
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
1
|
|---|
| LipinskiFailures |
0
|
|---|
| Complexity of molecule |
0.200
|
|---|
| Number of heavy atoms |
12
|
|---|
TPSA
(Topological Polar Surface Area) |
17.070 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
Porphyra tenera (Ref.623) - Red alga: Bangiaceae, Asakusa-nori, same as Pyropia tenera (Rhodophyta - Bangiaceae)
|
|---|
|
References |
Ref.623: Peter Winterhalter and Russell Rouseff, ”Carotenoid-Derived Aroma Compounds: An Introduction”, ACS Symposium Series; American Chemical Society: Washington, DC, 2001., doi: 10.1021/bk-2002-0802.ch001.
|
|---|
|
CAS |
|
|---|
|
Links to other DB |
|
|---|
