PRUNELLIN

Structure

2D structure of PRUNELLIN
2D structure
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3D model

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

Names and identifiers

Name

PRUNELLIN

IUPAC name

(R)-2-phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile

SMILES

CC5CC(C4CCC1(C(=CCC2C1(CCC3C2(C(C(C(C3(C)C)O)O)O)C)C)C4C5C)C)C(=O)O

General information

Molecular formula

C30H48O5

Molecular weight

488.71 g/mol

Monoisotopic mass

488.3502 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Prunella grandiflora (L.) Scholler - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Prunella grandiflora (L.) Scholler flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Prunella vulgaris L. subsp. vulgaris - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Prunella vulgaris L. subsp. vulgaris flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.