XANTHATIN

Structure

2D structure of XANTHATIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5281511

Names and identifiers

Name

XANTHATIN

IUPAC name

(3aR,7S,8aS)-7-methyl-3-methylene-6-((E)-3-oxobut-1-en-1-yl)-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one

SMILES

C[C@H]1C[C@H]2[C@H](CC=C1/C=C/C(=O)C)C(=C)C(=O)O2

General information

Molecular formula

C15H18O3

Molecular weight

246.31 g/mol

Monoisotopic mass

246.1256 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Xanthium italicum Moretti leaf -
Tsankova, E.T., Trendafilova, A.B., Kujumgiev, A.I., Galaboy, A.S., Robeva, P.R. (1994). Xantholides of Xanthium italicum Moretti and their biological actvity. Z Naturforsch Ser C, 49(1/2), 154-155 doi:10.1515/znc-1994-1-223