LACTUCIN

Structure

2D structure of LACTUCIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 821383

Names and identifiers

Name

LACTUCIN

IUPAC name

(3aR,4R,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

SMILES

CC1=C2[C@@H]([C@@H]3[C@@H]([C@@H](C1)O)C(=C)C(=O)O3)C(=CC2=O)CO

General information

Molecular formula

C15H16O5

Molecular weight

276.29 g/mol

Monoisotopic mass

276.0998 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. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Cichorium intybus L. exudate -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Cichorium intybus L. fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Cichorium intybus L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Lactuca sativa L. subsp. serriola (L.) Galasso, Banfi, Bartolucci & Ardenghi exudate -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Picris hieracioides L. subsp. hieracioides - -
Nishimura, K., Miyase, T., Ueno, A., Noro, T., Kuroyanagi, M., Fukushima, S. (1986). Sesquiterpene lactones from Picris hieracioides L. var. japonica Regel. I. Chem Pharm Bull, 34(6), 2518-2521 doi:10.1248/cpb.34.2518