ISOGENTISIN

Structure

2D structure of ISOGENTISIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5281640

Names and identifiers

Name

ISOGENTISIN

IUPAC name

1,3-dihydroxy-7-methoxy-9H-xanthen-9-one

SMILES

COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O

General information

Molecular formula

C14H10O5

Molecular weight

258.23 g/mol

Monoisotopic mass

258.0528 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Gentiana lutea L. subsp. lutea root 380 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.