AESCULIN

Structure

2D structure of AESCULIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5281417

Names and identifiers

Name

AESCULIN

Also reported as

AFZELIN; ESCULIN

IUPAC name

7-hydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one

SMILES

C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

General information

Molecular formula

C15H16O9

Molecular weight

340.28 g/mol

Monoisotopic mass

340.0794 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Artemisia alba Turra root -
Marco, J.A., Barbera, O., Sanchez-parareda, J. (1987). Flavonol and coumarin glycosides from Artemisia incanescens. J Nat Prod, 50(4), 774-775 doi:10.1021/np50052a045
Artemisia vulgaris L. - -
Bisset, N.G., ed. 1994. Herbal Drugs and Phytopharmaceuticals. CRC Press. Boca Raton, FL. 566 pp.
Cichorium intybus L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Cichorium intybus L. flower -
Rizk, A.F.M., The Phytochemistry of the Flora of Qatar, Scientific and Applied Research Centre, University of Qatar, Kingprint, Richmond, UK, 1986.
Cichorium intybus L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Crataegus monogyna Jacq. flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Epilobium hirsutum L. - -
Barakat, H.H., Hussein, S.A.M., Marzour, M.S., Merfort, I., Linscheid, M., Nawwar, M.A.M. (1997). Polyphenolic metabolites of Epilobium hirsutum. Phytochemistry, 46(5), 935-941 doi:10.1016/s0031-9422(97)00370-1
Fraxinus ornus L. subsp. ornus bark -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.