NEOXANTHIN

Structure

2D structure of NEOXANTHIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5281247

Names and identifiers

Name

NEOXANTHIN

IUPAC name

(1R,3S)-6-((3E,5E,7E,9E,11E,13E,15E,17E)-18-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-ylidene)-1,5,5-trimethylcyclohexane-1,3-diol

SMILES

C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C

General information

Molecular formula

C40H56O4

Molecular weight

600.88 g/mol

Monoisotopic mass

600.4179 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Daucus carota L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Equisetum telmateia Ehrh. leaf -
Czeczuga, B. (1985). Carotenoids in sixty-six representatives of the Pteridophyta. Biochem Syst Ecol, 13(3), 221-230 doi:10.1016/0305-1978(85)90030-4
Lathyrus pratensis L. subsp. pratensis leaf -
Bornefeld, T., Czygan, F.C. (1975). Carotenoids in Zygaena species(Lepidoptera). Z Naturforsch Ser C, 30, 298
Medicago sativa L. - -
ANON. 1948-1976. The Wealth of India raw materials. Publications and Information Directorate, CSIR, New Delhi. 11 volumes.
Medicago sativa L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Rosa canina L. fruit 2 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Trollius europaeus L. flower -
Marki-fischer, E., Eugster, C.H. (1990). Neoflor and 6-epineoflor from flowers of Trollius europaeus; highfield 1-h-nmr spectra of (all-e)-neoxanthin and (9'z)-neoxanthin. Helv Chim Acta, 73(6), 1637-1643 doi:10.1002/chin.199050290