|
Entry |
|
|---|
|
Classification |
|
|---|
|
Carotenoid Name
|
3,4,3',4',7',8',11',12'-Octahydrospirilloxanthin
|
|---|
|
IUPAC name |
1,1'-Dimethoxy-1,2,7,8,11,12,1',2'-octahydro-psi,psi-carotene
|
|---|
|
Formula |
C42H68O2
|
|---|
|
Molecular Weight |
604.964 g/mol
|
|---|
|
Structure |
Search similar carotenoids
Mol file
|
|---|
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
1,2+H, 7,8+H, 11,12+H, 1',2'+H, 1-Methoxy, 1'-Methoxy, psi,psi
( Help )
|
|---|
|
Biological functions/Properties |
|
|---|
Number of
conjugated double bonds |
7
|
|---|
Number of
conjugated multiple bonds |
7
|
|---|
|
Isomers |
|
|---|
|
InChI |
|
|---|
|
InChIKey |
|
|---|
|
Canonical SMILES |
|
|---|
|
XLogP |
13.492
|
|---|
Hydrogen Bond donors
(Lipinski's definition) |
0
|
|---|
Hydrogen Bond Acceptors
(Lipinski's definition) |
2
|
|---|
| LipinskiFailures |
2
|
|---|
| Complexity of molecule |
0.000
|
|---|
| Number of heavy atoms |
44
|
|---|
TPSA
(Topological Polar Surface Area) |
18.460 Å2
|
|---|
|
Reaction |
|
|---|
|
Pathway |
|
|---|
|
Major carotenoid information |
|
|---|
|
Minor carotenoid information |
|
|---|
|
Source organisms |
Rhodospirillum rubrum (Ref.337) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodospirillaceae)
|
|---|
|
References |
Ref.337: H.C. Malhotra, G. Britton, T.W. Goodwin, Phytochemistry, Volume 9, Issue 11, November 1970, Pages 2369–2375, "The mono- and dimethoxy-carotenoids of diphenylamine-inhibited cultures of rhodospirillum rubrum".
|
|---|
|
CAS |
31159-52-1
|
|---|
|
Links to other DB |
|
|---|
|
