|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
Disodium 3,3'-Dihydroxy-7,8-didehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-4,4'-diyl disulphate
|
|---|
|
Formula |
C40H58O10S2.2Na
|
|---|
|
Molecular Weight |
785.994 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
7,8--H, 5,6+H, 5',6'+H, 3-OH, 3'-OH, 4-SO4-Na, 4'-SO4-Na, beta,beta
( Help )
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
8
|
|---|
Number of
conjugated multiple bonds |
9
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
8.170
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
2
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
10
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.278
|
|---|
| Number of heavy atoms |
52
|
|---|
TPSA
(Topological Polar Surface Area) |
190.080 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
|
|---|
|
CAS |
135383-68-5
|
|---|
|
Links to other DB |
|
|---|
|
