ANTIRHININ

Structure

2D structure of ANTIRHININ
2D structure
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3D model

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

Names and identifiers

Name

ANTIRHININ

Also reported as

KERACYANIN; PRUNICYANIN; SAMBUCINE

IUPAC name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride

SMILES

[Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

General information

Molecular formula

C27H31ClO15

Molecular weight

630.98 g/mol

Monoisotopic mass

630.1351 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Acer campestre L. leaf -
Ji, S.B., Yokoi, M., Saito, N., Mao, L.S. (1992). Distribution of anthocyanins in Aceraceae leaves. Biochem Syst Ecol, 20(8), 771-781 doi:10.1016/0305-1978(92)90036-d
Acer negundo L. leaf -
Ji, S.B., Yokoi, M., Saito, N., Mao, L.S. (1992). Distribution of anthocyanins in Aceraceae leaves. Biochem Syst Ecol, 20(8), 771-781 doi:10.1016/0305-1978(92)90036-d
Acer pseudoplatanus L. leaf -
Ji, S.B., Yokoi, M., Saito, N., Mao, L.S. (1992). Distribution of anthocyanins in Aceraceae leaves. Biochem Syst Ecol, 20(8), 771-781 doi:10.1016/0305-1978(92)90036-d
Prunus spinosa L. subsp. spinosa fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Sambucus nigra L. - 1100 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Sambucus nigra L. bark -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Sambucus nigra L. fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.