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Entry |
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Classification |
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Carotenoid Name
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1-Methoxy-1,2-dihydrophytoene
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IUPAC name |
1-Methoxy-1,2,7,8,11,12,7',8',11',12'-decahydro-psi,psi-carotene
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Formula |
C41H68O
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Molecular Weight |
576.954 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
Predict biological activities of this carotenoid
1,2+H, 7,8+H, 11,12+H, 7',8'+H, 11',12'+H, 1-Methoxy, psi,psi
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Biological functions/Properties |
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Number of
conjugated double bonds |
3
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Number of
conjugated multiple bonds |
3
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Isomers |
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
14.165
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Hydrogen Bond donors
(Lipinski's definition) |
0
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
2
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| Complexity of molecule |
0.000
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| Number of heavy atoms |
42
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TPSA
(Topological Polar Surface Area) |
9.230 Å2
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Reaction |
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Pathway |
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Major carotenoid information |
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Minor carotenoid information |
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Source organisms |
Rhodospirillum rubrum (Ref.337) - Alphaproteobacteria: phototrophic purple non-sulfur bacteria (Alphaproteobacteria - Rhodospirillaceae)
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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".
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CAS |
29261-82-3
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Links to other DB |
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