Carotenoid DB: CA00400

All carotenoids All organisms All pathways All reactions Feedback

Carotenoids DB: CA00400

Entry

CA00400

Classification

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

Carotenoid Name

Cryptoxanthin 5,6-epoxide

IUPAC name

(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-beta,beta-caroten-3-ol

Formula

C40H56O2

Molecular Weight

568.848 g/mol

Structure

Search similar carotenoids

Mol file

Carotenoid DB Fingerprints

Predict biological activities of this carotenoid
(3S,5R,6S), 5,6+H, 3-OH, 5,6-Epoxy, beta,beta
( Help )

Biological functions/Properties

Number of
conjugated double bonds

Number of
conjugated multiple bonds

Isomers

Constitutional isomer: CA01213, CA00140, CA00078, CA00079, CA00164, CA00207, CA00208, CA00204, CA00218, CA00233, CA00234, CA00206, CA00205, CA00249, CA00248, CA00261, CA00373, CA00374, CA00327, CA00326, CA00375, CA00328, CA00329, CA00330, CA00331, CA00399, CA00435, CA00402, CA00401, CA00430, CA00434, CA00403, CA00480, CA00582, CA01237, CA00597, CA00598, CA00615, CA00599, CA00600, CA00616, CA00614, CA00623, CA00676, CA00692, CA00691, CA00689, CA00686, CA00687, CA00685, CA00682, CA00690, CA00683, CA00684, CA00688, CA01228, CA00737

InChI

InChIKey

Canonical SMILES

XLogP

11.849

Hydrogen Bond donors
(Lipinski's definition)

Hydrogen Bond Acceptors
(Lipinski's definition)

LipinskiFailures

Complexity of molecule

0.316

Number of heavy atoms

TPSA
(Topological Polar Surface Area)

32.760 Å²

Reaction

Pathway

Major carotenoid information

Minor carotenoid information

Source organisms

Nannochloropsis oculata (Ref.27, Ref.28) - Alga: Eustigmatophyceae ((Eustigmatophyceae) - Monodopsidaceae)
Capsicum annuum var. lycopersiciforme flavum (Ref.283) - Land plant: yellow paprika (Streptophyta - Solanaceae)

References

Ref.27: N. J. Antial, and J.Y. Cheng, British Phycological Journal, Volume 17, Issue 1, 1982 "The Keto carotenoids of two marine cocoid members of the eustimaphyceae" DOI:10.1080/00071618200650061 .

Ref.28: Luis M. Lubián, Olimpio Montero, Ignacio Moreno-Garrido, I. Emma Huertas, Cristina Sobrino, Manuel González-del Valle, Griselda Parés, Journal of Applied Phycology, October 2000, Volume 12, Issue 3-5, pp 249-255 "Nannochloropsis (Eustigmatophyceae) as source of commercially valuable pigments".

Ref.283: Zoltan Matus, Jozsef Deli, Jozsef Szabolcs, J. Agric. Food Chem., 1991, 39 (11), pp 1907–1914, "Carotenoid composition of yellow pepper during ripening: isolation of .beta.-cryptoxanthin 5,6-epoxide".

CAS

17430-14-7

Links to other DB

MassBank: CA000039

Searching other references with Google Scholar or searching the colour of this carotenoid by Google image search