ANTIRRINOSIDE,6-O-TRANS-PARA-COUMAROYL

Structure

2D structure of ANTIRRINOSIDE,6-O-TRANS-PARA-COUMAROYL
2D structure
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3D model

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

Names and identifiers

Name

ANTIRRINOSIDE,6-O-TRANS-PARA-COUMAROYL

IUPAC name

(1aR,2S,5aS,6R,6aS)-6-hydroxy-1a-methyl-2-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1b,2,6,6a-tetrahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-5a(1aH)-yl (E)-3-(4-hydroxyphenyl)acrylate

SMILES

C1=CO[C@H](C2[C@@]1([C@@H]([C@H]3[C@@]2(O3)C)O)OC(\C(=C(\C4=CC=C(C=C4)O)[H])[H])=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@H](CO)O5)O)O)O

General information

Molecular formula

C24H28O12

Molecular weight

508.48 g/mol

Monoisotopic mass

508.1581 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Linaria vulgaris Mill. subsp. vulgaris aerial parts -
Ilieva, E., Handjieva, N., Spassov, S., Popov, S. (1993). 5-o-allosylantirrinoside from Linaria species. Phytochemistry, 32(4), 1068-1070 doi:10.1016/0031-9422(93)85258-s
Linaria vulgaris Mill. subsp. vulgaris aerial parts -
Ilieva, E.I., Handjieva, N.V., Popov, S.S. (1992). Iridoid glucosides from Linaria vulgaris. Phytochemistry, 31(3), 1040-1041 doi:10.1016/0031-9422(92)80068-p