|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
(3S,5R,6R,3'S,5'R,8'R)-5',8'-Epoxy-5,6,5',8'-tetrahydro-beta,beta-carotene-3,5,6,3'-tetrol
|
|---|
|
Formula |
C40H58O5
|
|---|
|
Molecular Weight |
618.864 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,5R,6R,3'S,5'R,8'R), 5,6+H, 5',8'+H, 3-OH, 5-OH, 6-OH, 3'-OH, 5',8'-Epoxy, beta,beta
( Help )
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
8
|
|---|
Number of
conjugated multiple bonds |
8
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
7.121
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
4
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
5
|
|---|
| LipinskiFailures |
1
|
|---|
| Complexity of molecule |
0.301
|
|---|
| Number of heavy atoms |
45
|
|---|
TPSA
(Topological Polar Surface Area) |
90.150 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
|
|---|
|
CAS |
95119-72-5
|
|---|
|
Links to other DB |
|
|---|
|
