Molecule

Lolitrem E

AlkaPlorer ID: AK567911

Synonym: None

IUPAC Name: 9,13-dihydroxy-2,3,23,23,25,25-hexamethyl-8-[2-(3-methylbut-2-enoxy)propan-2-yl]-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one

Structure

SMILES: CC(C)=CCOC(C)(C)C1OC2CCC3(C)C4(C)C5=C(CC4CCC3(O)C23OC3C1O)C1=C2CC3C(C(=O)C2=CC=C1N5)C(C)(C)OC3(C)C

InChI: InChI=1S/C42H57NO7/c1-21(2)15-18-47-38(7,8)34-32(45)35-42(49-35)28(48-34)14-16-39(9)40(10)22(13-17-41(39,42)46)19-25-29-24-20-26-30(37(5,6)50-36(26,3)4)31(44)23(24)11-12-27(29)43-33(25)40/h11-12,15,22,26,28,30,32,34-35,43,45-46H,13-14,16-20H2,1-10H3

InChIKey: XERCMAQJPCQQAO-UHFFFAOYSA-N

Reference

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

PubChem CID: 72630439

CAS: 155964-95-7

LOTUS: LTS0059860

COCONUT: CNP0141116.2

Source

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

Properties Information

Molecule Weight: 687.9180000000001

TPSA？: 113.54

MolLogP？: 6.508800000000009

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 9

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi