ALPHA-CAROTENE

Structure

2D structure of ALPHA-CAROTENE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6419725

Names and identifiers

Name

ALPHA-CAROTENE

IUPAC name

1,3,3-trimethyl-2-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-((R)-2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)cyclohex-1-ene

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=CCCC2(C)C)C)/C)/C

General information

Molecular formula

C40H56

Molecular weight

536.89 g/mol

Monoisotopic mass

536.4382 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Asplenium trichomanes L. 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
Calendula arvensis (Vaill.) L. flower -
Baraud, J. (1958). Carotenoids of the flowers of Calendula and of the fruits of Tamus, Rosa, Malpighia, Physalis. Rev Gen Bot, 65, 221
Daucus carota L. root 17-25 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Equisetum arvense L. seedling -
Jim Duke's personal files.
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
Helianthemum nummularium (L.) Mill. aerial parts -
Marius, C., Neamtu, G., Stanescu, U. (1994). Constituents of Helianthemum nummularium. Fitoterapia, 65(2), 181
Iris germanica L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Potentilla erecta (L.) Raeusch. aerial parts -
Goncharov, N.F., Kotov, A.K. (1992). Coumarins, carotenoids, and beta-sitosterol from the epigeal parts of some species of the genus Potentialla. Chem Nat Comp, 27(6), 752 doi:10.1007/bf00629945
Rubus idaeus L. subsp. idaeus fruit 0-1 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.