Molecule

Aspergiamide B

AlkaPlorer ID: AK007754

Synonym: None

IUPAC Name: 3-[(2R)-5-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-3,6-dioxopiperazin-2-yl]propanoic acid

Structure

SMILES: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C=C3C(=O)N[C@@H](C(=O)N3)CCC(=O)O

InChI: InChI=1S/C21H23N3O4/c1-4-21(2,3)18-13(12-7-5-6-8-14(12)22-18)11-16-20(28)23-15(19(27)24-16)9-10-17(25)26/h4-8,11,15,22H,1,9-10H2,2-3H3,(H,23,28)(H,24,27)(H,25,26)/t15-/m1/s1

InChIKey: PKLLYVKYBUGMRR-OAHLLOKOSA-N

Reference

Isolation, Structural Characterization and Antidiabetic Activity of New Diketopiperazine Alkaloids from Mangrove Endophytic Fungus Aspergillus sp. 16-5c

PubChem CID: 170990369

Source

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

Properties Information

Molecule Weight: 381.4320000000002

TPSA？: 111.29

MolLogP？: 2.4517999999999995

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi