AGRIMOPHOL

Structure

2D structure of AGRIMOPHOL
2D structure
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3D model

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

Names and identifiers

Name

AGRIMOPHOL

IUPAC name

(6S)-6-((3-butyryl-2,6-dihydroxy-4-methoxy-5-methylcyclohexyl)methyl)-3,5-dihydroxy-4,6-dimethyl-2-((R)-2-methylbutanoyl)cyclohexa-2,4-dien-1-one

SMILES

CCCC(=O)C1C(C(C(C(C1OC)C)O)C[C@]2(C(=C(C(=C(C2=O)C(=O)[C@H](C)CC)O)C)O)C)O

General information

Molecular formula

C26H40O8

Molecular weight

480.60 g/mol

Monoisotopic mass

480.2723 Da

Classification

Pathway:
Superclass:
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Agrimonia eupatoria L. subsp. eupatoria bud 7900 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.