APIIN

Structure

2D structure of APIIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5280746

Names and identifiers

Name

APIIN

IUPAC name

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

SMILES

C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O

General information

Molecular formula

C26H28O14

Molecular weight

564.50 g/mol

Monoisotopic mass

564.1479 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Ervilia hirsuta (L.) Opiz leaf -
Nakaoki, T., Morita, N., Mototsune, H., Hiraki, A., Takeuchi, T. (1955). Medicinal resources ii. components of the leaves of Sophora angustifolia, Vicia hirsuta, and Linaria japonica. Yakugaku Zasshi, 75, 172-176
Matricaria chamomilla L. flower -
Achterrath-tuckermann, U., Kunde, R., Flaskamp, E., Isaac, O., Thiemer, K. (1980). Pharmacological investigation with compounds of chamomile. V. investigations on the spasmolytic effect of compounds of chamomile and kamillosan on the isolated guinea pig Ileum. Planta Med, 39, 38-50