Carotenoid DB: CA00555

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Carotenoids DB: CA00555

Entry

CA00555

Classification

C40 carotenoids including C40 originated apocarotenoids and intermediates
2.1 beta,beta Carotene
C40 Ketones

Carotenoid Name

Webbiaxanthin

IUPAC name

5,5'-Dihydroxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-dione

Formula

C40H56O4

Molecular Weight

600.848 g/mol

Structure

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Mol file

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5,6+H, 5',6'+H, 5-OH, 5'-OH, 3=O, 3'=O, beta,beta
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Biological functions/Properties

Number of
conjugated double bonds

Number of
conjugated multiple bonds

Isomers

Constitutional isomer: CA00137, CA01092, CA01100, CA01101, CA00350, CA00347, CA00979, CA01093, CA01094, CA00348, CA00349, CA00346, CA00965, CA00415, CA00439, CA00440, CA00419, CA00441, CA00442, CA00443, CA00444, CA00445, CA00414, CA00421, CA00420, CA00417, CA00418, CA00416, CA00584, CA00626, CA00631, CA00647, CA00648, CA00701, CA00746, CA00745, CA00744, CA00747, CA00743, CA00785

InChI

InChIKey

Canonical SMILES

XLogP

9.270

Hydrogen Bond donors
(Lipinski's definition)

Hydrogen Bond Acceptors
(Lipinski's definition)

LipinskiFailures

Complexity of molecule

0.300

Number of heavy atoms

TPSA
(Topological Polar Surface Area)

74.600 Å²

Reaction

Pathway

Major carotenoid information

Minor carotenoid information

Source organisms

Lonicera webbiana (Ref.681) - Land plant: Webb's Honeysuckle (Streptophyta - Caprifoliaceae)
Lonicera ruprechtiana (Ref.681) - Land plant (Streptophyta - Caprifoliaceae)

References

Ref.681: Anna-Katharina Rahman und Kurt Egger, Z. Naturforsch. 28 c, 434 — 436, 1973, "Ketocarotinoide in den Früchten von Lonicera webbiana und Lonicera ruprechtiana".

CAS

52073-90-2

Links to other DB

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