PECTOLINARIN,ACETYL

Structure

2D structure of PECTOLINARIN,ACETYL
2D structure
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3D model

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

Names and identifiers

Name

PECTOLINARIN,ACETYL

IUPAC name

6-methoxy-2-(4-methoxyphenyl)-4-oxo-7-(((2R,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)-4H-chromen-5-yl acetate

SMILES

O[C@H]1[C@H](C)O[C@@H](OC[C@H]2O[C@H](OC3=C(OC)C(OC(C)=O)=C(C(C=C(C4=CC=C(OC)C=C4)O5)=O)C5=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O

General information

Molecular formula

C31H36O16

Molecular weight

664.61 g/mol

Monoisotopic mass

664.2003 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 - -
Kiselev, V.P., Kriyut, B.A., Ugnivenko, V.V. (1982). Seasonal dynamics of the accumulation of acetylpectolinarin in Linaria vulgaris Mill. cultivated in the Moscow area. Pharm Chem J, 16(9), 1096-1097
Linaria vulgaris Mill. subsp. vulgaris aerial parts -
Barnaulov, O.D., Manicheva, O.A., Shelyuto, V.L., Konopleva, M.M., Glyzin, V.I. (1985). Effect of flavonoids on development of experimental gastric dystrophies in mice. Khim Farm Zh, 18(8), 935-941 doi:10.1007/bf00779271
Linaria vulgaris Mill. subsp. vulgaris aerial parts -
Kuptsova, L.P., Ban'kovskii, A.I. (1970). A new flavonoid from some Linaria species. Chem Nat Comp, 6(1), 121-122
Linaria vulgaris Mill. subsp. vulgaris bud -
Demidova, L.S., Krivut, B.A. (1978). Dynamics of accumulation of acetylpectolinarin in Linaria vulgaris, in the region around moscow. Khim Farm Zh, 11(11), 95 doi:10.1007/bf00778238
Linaria vulgaris Mill. subsp. vulgaris flower -
Demidova, L.S., Krivut, B.A. (1978). Dynamics of accumulation of acetylpectolinarin in Linaria vulgaris, in the region around moscow. Khim Farm Zh, 11(11), 95 doi:10.1007/bf00778238
Linaria vulgaris Mill. subsp. vulgaris fruit -
Demidova, L.S., Krivut, B.A. (1978). Dynamics of accumulation of acetylpectolinarin in Linaria vulgaris, in the region around moscow. Khim Farm Zh, 11(11), 95 doi:10.1007/bf00778238
Linaria vulgaris Mill. subsp. vulgaris leaf -
Demidova, L.S., Krivut, B.A. (1978). Dynamics of accumulation of acetylpectolinarin in Linaria vulgaris, in the region around moscow. Khim Farm Zh, 11(11), 95 doi:10.1007/bf00778238
Linaria vulgaris Mill. subsp. vulgaris root -
Demidova, L.S., Krivut, B.A. (1978). Dynamics of accumulation of acetylpectolinarin in Linaria vulgaris, in the region around moscow. Khim Farm Zh, 11(11), 95 doi:10.1007/bf00778238
Linaria vulgaris Mill. subsp. vulgaris stem -
Demidova, L.S., Krivut, B.A. (1978). Dynamics of accumulation of acetylpectolinarin in Linaria vulgaris, in the region around moscow. Khim Farm Zh, 11(11), 95 doi:10.1007/bf00778238