OSTHOLE

Structure

2D structure of OSTHOLE
2D structure
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3D model

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

Names and identifiers

Name

OSTHOLE

IUPAC name

7-methoxy-8-(3-methylbut-2-en-1-yl)-4a,5,6,7,8,8a-hexahydro-2H-chromen-2-one

SMILES

O=C/2OC1C(C(OC)CCC1\C=C\2)C\C=C(/C)C

General information

Molecular formula

C15H22O3

Molecular weight

250.34 g/mol

Monoisotopic mass

250.1569 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Daucus carota L. - 610 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Daucus carota L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.