PAXILLINE

Structure

2D structure of PAXILLINE
2D structure
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3D model

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

Names and identifiers

Name

PAXILLINE

IUPAC name

(2R,4bS,6aS,12bS,12cR,14aS)-4b-hydroxy-2-(2-hydroxypropan-2-yl)-12b,12c-dimethyl-5,6,6a,7,7a,7b,8,9,10,11,11a,12,12a,12b,12c,13,14,14a-octadecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one

SMILES

O=C5/C=C6/[C@]4(O)CC[C@H]3CC2C1CCCCC1[NH]C2[C@@]3([C@]4(CC[C@@H]6O[C@@H]5C(O)(C)C)C)C

General information

Molecular formula

C27H41NO4

Molecular weight

443.63 g/mol

Monoisotopic mass

443.3036 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Lolium perenne L. fruit -
Weedon, C.M., Mantle, P.G. (1987). Paxilline biosynthesis by acremonium loliae. a step towards defining the origin of lolitrem neurotoxins. Phytochemistry, 26(4), 969-971 doi:10.1016/s0031-9422(00)82327-4