Molecule

Aspergiamide A

AlkaPlorer ID: AK007815

Synonym: None

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

Structure

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

InChI: InChI=1S/C21H25N3O3/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-17-20(27)23-16(10-7-11-25)19(26)24-17/h4-6,8-9,12,16,22,25H,1,7,10-11H2,2-3H3,(H,23,27)(H,24,26)/t16-/m1/s1

InChIKey: PXNVGXZLUCZOTE-MRXNPFEDSA-N

Reference

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

PubChem CID: 170990368

Source

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

Properties Information

Molecule Weight: 367.4490000000002

TPSA？: 94.22

MolLogP？: 2.3595

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi