ISOXANTHOHUMOL

Structure

2D structure of ISOXANTHOHUMOL
2D structure
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3D model

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

Names and identifiers

Name

ISOXANTHOHUMOL

IUPAC name

(2S)-7-hydroxy-2-(4-hydroxycyclohexyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)octahydro-4H-chromen-4-one

SMILES

O=C2C3C(O[C@H](C1CCC(O)CC1)C2)C(C(O)CC3OC)C\C=C(/C)C

General information

Molecular formula

C21H34O5

Molecular weight

366.50 g/mol

Monoisotopic mass

366.2406 Da

Classification

Pathway:
-
Superclass:
-
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Humulus lupulus L. - 42500 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Humulus lupulus L. fruit 1838 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.