APIGENIN-7-O-BETA-D-RUTINOSIDE

Structure

2D structure of APIGENIN-7-O-BETA-D-RUTINOSIDE
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 24211962

Names and identifiers

Name

APIGENIN-7-O-BETA-D-RUTINOSIDE

IUPAC name

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

SMILES

CC1[C@@H]([C@H](C([C@@H](O1)OCC2[C@H]([C@H](C([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

General information

Molecular formula

C28H32O15

Molecular weight

608.55 g/mol

Monoisotopic mass

608.1741 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Daucus carota L. seed -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Onopordum acanthium L. subsp. acanthium flower -
Karl, C., Mueller, G., Pedersen, P.A. (1976). On the phytochemistry of the flowers of Onopordon acanthium L. (cotton thistle). Dtsch Apoth Ztg, 116, 57-59