Entry |
|
Classification |
|
Carotenoid Name
|
Prenigroxanthin; (all-E,3R,3'S,6'S)-β,γ-carotene-3,3',6'-tirol; (all-E,3R,3'S,6'S)-beta,gamma-carotene-3,3',6'-tirol
|
IUPAC name |
(all-E,3R,3'S,6'S)-beta,gamma-carotene-3,3',6'-tirol
|
Formula |
C40H56O3
|
Molecular Weight |
584.848 g/mol
|
Structure |
Search similar carotenoids

Mol file
|
Carotenoid DB Fingerprints |
|
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, CA00341, CA00410, CA00436, CA00437, CA00407, CA00408, CA00412, CA00438, CA00411, CA00409, CA00583, CA00607, CA00606, CA00609, CA00608, CA00618, CA00627, CA00630, CA00624, CA00625, CA00761, CA00762, CA00739
|
InChI |
|
InChIKey |
|
Canonical SMILES |
|
XLogP |
9.105
|
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 |
Capsicum annuum (Ref.427) - Land plant: red pepper (Streptophyta - Solanaceae)
|
References |
Ref.427: József Delia, Péter Molnára, Zoltán Matusa, Gyula Tótha, Bruno Traberb, Hanspeter Pfander, Tetrahedron Letters, Volume 42, Issue 7, 12 February 2001, Pages 1395–1397, "'Prenigroxanthin’ [(all-E,3R,3'S,6'S)-β,γ-carotene-3,3',6'-triol], a novel carotenoid from red paprika (Capsicum annuum)".
|
CAS |
334490-57-2
|
Links to other DB |
|
|