|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
| |
|---|
|
IUPAC name |
(2R,2'R)-3,4,3',4'-Tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,2,1',2'-tetrol
|
|---|
|
Formula |
C40H56O4
|
|---|
|
Molecular Weight |
600.848 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(2R,2'R), 3,4--H, 3',4'--H, 1,2+H, 1',2'+H, 1-OH, 2-OH, 1'-OH, 2'-OH, psi,psi
( Help )
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
13
|
|---|
Number of
conjugated multiple bonds |
13
|
|---|
|
Isomers |
Enantiomer: CA01092
Constitutional isomer: CA01100, CA01101, CA00350, CA00347, CA00979, CA01093, CA01094, CA00348, CA00349, CA00346, CA00965, CA00415, CA00439, CA00440, CA00419, CA00441, CA00442, CA00443, CA00444, CA00445, CA00414, CA00421, CA00420, CA00417, CA00418, CA00416, CA00555, CA00584, CA00626, CA00631, CA00647, CA00648, CA00701, CA00746, CA00745, CA00744, CA00747, CA00743, CA00785
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
10.192
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
4
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
4
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.000
|
|---|
| Number of heavy atoms |
44
|
|---|
TPSA
(Topological Polar Surface Area) |
80.920 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
|
|---|
|
CAS |
29487-75-0
|
|---|
|
Links to other DB |
|
|---|
|
