AGRIMOL-C

Structure

2D structure of AGRIMOL-C
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 442900

Names and identifiers

Name

AGRIMOL-C

IUPAC name

1,1'-(((5-butyryl-2,4,6-trihydroxy-1,3-phenylene)bis(methylene))bis(2,4-dihydroxy-6-methoxy-5-methyl-3,1-phenylene))bis(butan-1-one)

SMILES

CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O)CC3=C(C(=C(C(=C3O)C)OC)C(=O)CCC)O)O

General information

Molecular formula

C36H44O12

Molecular weight

668.74 g/mol

Monoisotopic mass

668.2833 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 - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.