Entry |
|
Classification |
|
Carotenoid Name
|
Deepoxyneoxanthin; Trollein
|
IUPAC name |
(3S,5R,6R,3'R)-6,7-Didehydro-5,6-dihydro-beta,beta-carotene-3,5,3'-triol
|
Formula |
C40H56O3
|
Molecular Weight |
584.848 g/mol
|
Structure |
Search similar carotenoids

Mol file
|
Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
(3S,5R,6R,3'R), 6,7--H, 5,6+H, 3-OH, 5-OH, 3'-OH, beta,beta
( Help )
|
Biological functions/Properties |
|
Number of conjugated double bonds |
10
|
Number of conjugated multiple bonds |
10
|
Isomers |
Constitutional isomer: CA00227, CA00228, CA00394, CA00340, CA00377, CA00378, CA00339, CA00342, CA00338, CA00410, CA00436, CA00437, CA00407, CA00408, CA00412, CA00438, CA00411, CA00409, CA00583, CA00607, CA00606, CA00609, CA00608, CA00618, CA00627, CA00630, CA00624, CA00625, CA01047, CA00761, CA00762, CA00739
|
InChI |
|
InChIKey |
|
Canonical SMILES |
|
XLogP |
11.119
|
Hydrogen Bond donors (Lipinski's definition) |
3
|
Hydrogen Bond Acceptors (Lipinski's definition) |
3
|
LipinskiFailures |
1
|
Complexity of molecule |
0.303
|
Number of heavy atoms |
43
|
TPSA (Topological Polar Surface Area) |
60.690 Å2
|
Reaction |
|
Pathway |
|
Major carotenoid information |
|
Minor carotenoid information |
|
Source organisms |
|
References |
Ref.12: N.I. Krinsky and R. P. Levine, Plant Physiol. Jul 1964; 39(4): 680–687. "Carotenoids of Wild Type and Mutant Strains of the Green Alga, Chlamydomonas reinhardi". Ref.13: PMID: 1190948: Francis GW, Strand LP, Lien T, Knutsen G., Arch Microbiol. 1975 Aug 28;104(3):249-54. "Variations in the Carotenoid Content of Chlamydomonas reinhardii throughout the Cell cycle". Ref.14: S. Tkaichi, and M. Mimuro, Plant Cell Physiol. 39(9): 968-977 (1998) "Distribution and Geometric Isomerism of Neoxanthin in Oxygenic Phototrophs: 9'-Cis, a Sole Molecular Form". Ref.41: N. I. Krinsky, A. Gordon, and A. I. Stern, Plant Physiol 39: 441-445 1964, "The appearance of Neoxanthin during the Regreenin g of Dark-grown Euglena".
|
CAS |
24730-28-7
|
Links to other DB |
|
|