JACQUILENIN

Structure

2D structure of JACQUILENIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 14163574

Names and identifiers

Name

JACQUILENIN

Also reported as

JACQUINELIN

IUPAC name

(3S,3aS,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

SMILES

C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C

General information

Molecular formula

C15H18O4

Molecular weight

262.31 g/mol

Monoisotopic mass

262.1205 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Cichorium intybus L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Helminthotheca echioides (L.) Holub - -
Savona, G., Bruno, M. (1983). High resolution nmr data of 8-deoxy-lactucin. J Nat Prod, 46(2), 277-278 doi:10.1021/np50026a025
Helminthotheca echioides (L.) Holub aerial parts -
Milovanovic, M., Picuric-jovanovic, K., Djermanovic, M. (2000). Sesquiterpene lactones and monoterpene glucosides from plant species Picris echoides. J Serb Chem Soc, 65(11), 763-767 doi:10.2298/jsc0011763m
Picris hieracioides L. subsp. hieracioides aerial parts -
Kisiel, W. (1992). Sesquiterpene lactones from Picris hieracioides subsp. hieracioides. Planta Med, 58(1), 115 doi:10.1055/s-2006-961408
Picris hieracioides L. subsp. hieracioides flower -
Kanayama, T., Tada, M. (1988). Sesquiterpene lactone from flowers of Picris hieracioides L. Bull Chem Soc Japan, 61(8), 2971-2972 doi:10.1246/bcsj.61.2971