Molecule

Bisdethiobis(methylthio)gliotoxin

AlkaPlorer ID: AK290711

Synonym: 2,3,5a,6,10,10a-Hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)pyrazino[1,2-a]indole-1,4-dione, FR 49175

IUPAC Name: 6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione

SMILES: CSC1(CO)C(=O)N2C3C(=CC=CC3O)CC2(SC)C(=O)N1C

InChI: InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3

InChIKey: OVBAGMZLGLXSBN-UHFFFAOYSA-N

PubChem CID: 5114266

CAS: 74149-38-5

LOTUS: LTS0048736

COCONUT: CNP0299713.3

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus fumigatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Pseudallescheria sp.	Pseudallescheria	Microascaceae	Microascales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Neosartorya	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Gliocladium	None	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Colletotrichum gloeosporioides	Colletotrichum	Glomerellaceae	Glomerellales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Neosartorya	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 356.4690000000001

TPSA？: 81.08

MolLogP？: 0.0272999999999998

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi