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Entry |
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Classification |
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Carotenoid Name
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2-Hydroxy-β-carotene;
2-Hydroxy-beta-carotene;
β-caroten-2-ol
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IUPAC name |
(2R)-beta,beta-Caroten-2-ol
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Formula |
C40H56O
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Molecular Weight |
552.848 g/mol
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Structure |
Search similar carotenoids
Mol file
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Carotenoid DB Fingerprints |
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Biological functions/Properties |
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Number of
conjugated double bonds |
11
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Number of
conjugated multiple bonds |
11
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Isomers |
Constitutional isomer: CA01212, CA00070, CA00122, CA00071, CA00983, CA00149, CA00150, CA00217, CA00231, CA00232, CA00199, CA00198, CA00247, CA00302, CA00304, CA00322, CA00372, CA00396, CA00398, CA00397, CA00593, CA00595, CA00591, CA00613, CA00594, CA00592, CA00628, CA00629, CA00760
Enantiomer: CA00371
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InChI |
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InChIKey |
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Canonical SMILES |
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XLogP |
12.227
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Hydrogen Bond donors
(Lipinski's definition) |
1
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Hydrogen Bond Acceptors
(Lipinski's definition) |
1
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| LipinskiFailures |
1
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| Complexity of molecule |
0.309
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| Number of heavy atoms |
41
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TPSA
(Topological Polar Surface Area) |
20.230 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 |
Epicoccum nigrum - Fungi: fungus, a plant pathogen (Ascomycota - Incertae sedis)Cerura vinula (Ref.22) - Insect: moth (Arthropoda (Insecta) - Notodontidae)Extatosoma tiaratum (Ref.308, Ref.22) - Insect: giant prickly stick insect (Arthropoda (Insecta) - Phasmatidae)
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References |
Ref.308: Kayser, Hartmut, Zeitschrift fuer Naturforschung, C: Journal of Biosciences (1981), 36C(9-10), 755-64., "Carotenoids in the stick insect, Ectatosoma tiaratum. Isolation of β,ε-carotene-2-ol and β,ε-carotene-2-one".
Ref.22: H. Kayser, K. Aareskjold, G. Borch, S. Liaaen-Jensen, Inct Biochem. Insect Biochemistry, Volume 14, Issue 1, 1984, Pages 51–54, "Partly racemized 2-hydroxy-beta-type carotenoids from the insects Cerura vinula and Ectatosoma tiaratum".
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CAS |
39668-21-8
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Links to other DB |
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