Molecule

Preechinulin

AlkaPlorer ID: AK310974

Synonym: None

IUPAC Name: 3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]piperazine-2,5-dione

Structure

SMILES: C=CC(C)(C)C1=C(CC2N=C(O)C(C)N=C2O)C2=CC=CC=C2N1

InChI: InChI=1S/C19H23N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-9,11,15,21H,1,10H2,2-4H3,(H,20,24)(H,22,23)

InChIKey: LVPZJIGICMPWFH-UHFFFAOYSA-N

Reference

Preechinulin, a metabolite of Aspergillus chevalieri

PubChem CID: 320912

CAS: 21008-43-5

LOTUS: LTS0074268

COCONUT: CNP0293193.3

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NPAtlas: NPA020087

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus chevalieri	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Eurotium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Penicillium griseofulvum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus amstelodami	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Nigrospora oryzae	Nigrospora	Apiosporaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Eurotium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 325.412

TPSA？: 80.97

MolLogP？: 3.857700000000002

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi