|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
Myxol 2'-O-methyl-methylpentoside
|
|---|
|
IUPAC name |
(3R,2'S)-2'-(Methyl-5-methylpentosyloxy)-3',4'-didehydro-1',2'-dihydro-beta,psi-carotene-3,1'-diol
|
|---|
|
Formula |
C47H68O7
|
|---|
|
Molecular Weight |
745.014 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3R,2'S), 3',4'--H, 1',2'+H, 3-OH, 1'-OH, beta,psi, 2'-a-Pen-CH3
( Help )
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
12
|
|---|
Number of
conjugated multiple bonds |
12
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
10.020
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
4
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
7
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.287
|
|---|
| Number of heavy atoms |
54
|
|---|
TPSA
(Topological Polar Surface Area) |
108.610 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
|
|---|
|
References |
Ref.1: S. Hertzberg, S. Liaaen-Jensen, and H. W. Siegelman, Phytochemistry, 1971, Vol. 10, pp. 3121 - 3127 "The carotenois of blue-green algae".
|
|---|
|
CAS |
-
|
|---|
|
Links to other DB |
|
|---|
|
