Molecule

Lolitrem A

AlkaPlorer ID: AK495485

Synonym: None

IUPAC Name: 28-(3,3-dimethyloxiran-2-yl)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one

Structure

SMILES: CC1(C)OC(C)(C)C2C(=O)C3=CC=C4NC5=C(CC6CCC7(O)C89OC8C8OC(C%10OC%10(C)C)OC(C)(C)C8OC9CCC7(C)C56C)C4=C3CC21

InChI: InChI=1S/C42H55NO8/c1-35(2)23-18-21-20(28(44)27(23)36(3,4)51-35)11-12-24-26(21)22-17-19-13-16-41(45)39(9,40(19,10)30(22)43-24)15-14-25-42(41)32(49-42)29-31(46-25)37(5,6)50-34(47-29)33-38(7,8)48-33/h11-12,19,23,25,27,29,31-34,43,45H,13-18H2,1-10H3

InChIKey: PXJKIAMLVLKXQP-UHFFFAOYSA-N

Reference

Isolation and Structure Elucidation of Lolitrem A, a Tremorgenic Mycotoxin from Perennial Ryegrass Infected with Acremonium lolii

PubChem CID: 73000750

LOTUS: LTS0016502

COCONUT: CNP0272782.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Epichloe festucae	Epichloe	Clavicipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 701.901

TPSA？: 115.07000000000002

MolLogP？: 6.084000000000007

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 11

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi