Molecule

3-({1-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-1H-indol-3-yl}methyl)-6-methylpiperazine-2,5-dione

AlkaPlorer ID: AK446289

Synonym: None

IUPAC Name: 3-[[1-(4-hydroxy-3-methylbut-2-enyl)indol-3-yl]methyl]-6-methylpiperazine-2,5-dione

Structure

SMILES: CC(=CCN1C=C(CC2N=C(O)C(C)N=C2O)C2=CC=CC=C21)CO

InChI: InChI=1S/C19H23N3O3/c1-12(11-23)7-8-22-10-14(15-5-3-4-6-17(15)22)9-16-19(25)20-13(2)18(24)21-16/h3-7,10,13,16,23H,8-9,11H2,1-2H3,(H,20,25)(H,21,24)

InChIKey: LMTOFPFSRGQYTF-UHFFFAOYSA-N

Reference

Indolediketopiperazine Alkaloids from Eurotium cristatum EN-220, an Endophytic Fungus Isolated from the Marine Alga Sargassum thunbergii

PubChem CID: 162815438

LOTUS: LTS0140822

COCONUT: CNP0072701.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus cristatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 341.41100000000006

TPSA？: 90.34

MolLogP？: 2.806100000000001

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi