MOLLUGIN

Structure

2D structure of MOLLUGIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 124219

Names and identifiers

Name

MOLLUGIN

IUPAC name

methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate

SMILES

CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C

General information

Molecular formula

C17H16O4

Molecular weight

284.31 g/mol

Monoisotopic mass

284.1049 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Galium mollugo L. cell culture -
Bauch, H.J., Leistner, E. (1978). Aromatic metabolites in cell suspension cultures of Galium mollugo. Planta Med, 33, 105 doi:10.1055/s-0028-1097365
Galium mollugo L. rhizome -
Schildknecht, H., Straub, F., Scheidel, V. (1976). Mollugin, a new pigment from rhizomes of Galium mollugo. Justus Liebigs Ann Chem, 1295 doi:10.1002/chin.197649345