NEPODIN

Structure

2D structure of NEPODIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 100780

Names and identifiers

Name

NEPODIN

IUPAC name

1-(1,8-dihydroxy-3-methylnaphthalen-2-yl)ethan-1-one

SMILES

CC1=C(C(=C2C(=C1)C=CC=C2O)O)C(=O)C

General information

Molecular formula

C13H12O3

Molecular weight

216.24 g/mol

Monoisotopic mass

216.0786 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Rumex crispus L. aerial parts 116 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Rumex crispus L. root 1660 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Rumex crispus L. seed 498 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Rumex obtusifolius L. subsp. obtusifolius root -
He, L.Y., Chen, B.Z., Xiao, P.G. (1981). Botanical investigation and chemical analysis of chinese herbal medicines derived from the genus Rumex. Yao Hsueh Hsueh Pao, 16, 289-293
Rumex obtusifolius L. subsp. obtusifolius root -
Kasai, T., Okuda, M., Sano, H., Mochizuki, H., Sato, H., Sakamura, S. (1982). Biological activity of the constituents in roots of ezo-no-gishigishi (Rumex obtusifolius). Agr Biol Chem, 46, 2809-2813 doi:10.1271/bbb1961.46.2809