|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
beta,chi-Caroten-3-ol
|
|---|
|
Formula |
C40H52O
|
|---|
|
Molecular Weight |
548.816 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
13
|
|---|
Number of
conjugated multiple bonds |
13
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
14.134
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
1
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
1
|
|---|
| LipinskiFailures |
1
|
|---|
| Complexity of molecule |
0.323
|
|---|
| Number of heavy atoms |
41
|
|---|
TPSA
(Topological Polar Surface Area) |
20.230 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
|
|---|
|
CAS |
83572-78-5
|
|---|
|
Links to other DB |
|
|---|
|
