XANTHININ

Structure

2D structure of XANTHININ
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

XANTHININ

IUPAC name

(1R)-1-((7R,8aR)-7-methyl-3-methylene-2-oxo-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)-3-oxobutyl acetate

SMILES

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

General information

Molecular formula

C17H22O5

Molecular weight

306.36 g/mol

Monoisotopic mass

306.1467 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 aerial parts -
Herz, W. (1966). Pseudoguianolides in Compositae. Recent Adv Phytochem, 1, 229-269
Xanthium italicum Moretti leaf -
Toth, J., Holly, S., Ferenczy, L., Kovacs, O. (1962). Antibacterial active substance of Xanthium italicum. Rev Chim Acad Rep Populaire Roumaine, 7(2), 1339-1343
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