ISOCOUMARIN-3-4-DIHYDRO: 6-8-DIHYDROXY-3-UNDECYL: 3(R)

Structure

2D structure of ISOCOUMARIN-3-4-DIHYDRO: 6-8-DIHYDROXY-3-UNDECYL: 3(R)
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11067625

Names and identifiers

Name

ISOCOUMARIN-3-4-DIHYDRO: 6-8-DIHYDROXY-3-UNDECYL: 3(R)

IUPAC name

6,8-dihydroxy-3-undecylisochroman-1-one

SMILES

O=C1OC(CC2=CC(=CC(=C12)O)O)CCCCCCCCCCC

General information

Molecular formula

C20H30O4

Molecular weight

334.46 g/mol

Monoisotopic mass

334.2144 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Ononis natrix L. subsp. natrix - -
Sanfeliciano, A., Delcorral, J.M.M., Canedo, L.M., Medarde, M. (1990). 3,4-dihydroisocoumarins from Ononis natrix. Phytochemistry, 29(3), 945-948 doi:10.1016/0031-9422(90)80052-i