Molecule

Aspergilazine A

AlkaPlorer ID: AK097248

Synonym: None

IUPAC Name: (3S,8aS)-3-[[5-[3-[[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]indol-1-yl]-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Structure

SMILES: O=C1N[C@@H](CC2=CNC3=CC=C(N4C=C(C[C@@H]5NC(=O)[C@@H]6CCCN6C5=O)C5=CC=CC=C54)C=C23)C(=O)N2CCC[C@@H]12

InChI: InChI=1S/C32H32N6O4/c39-29-27-7-3-11-36(27)31(41)24(34-29)13-18-16-33-23-10-9-20(15-22(18)23)38-17-19(21-5-1-2-6-26(21)38)14-25-32(42)37-12-4-8-28(37)30(40)35-25/h1-2,5-6,9-10,15-17,24-25,27-28,33H,3-4,7-8,11-14H2,(H,34,39)(H,35,40)/t24-,25-,27-,28-/m0/s1

InChIKey: JEMUKHUDECTHAQ-XEZODYMFSA-N

Reference

Aspergilazine A, a diketopiperazine dimer with a rare N-1 to C-6 linkage, from a marine-derived fungus Aspergillus taichungensis

PubChem CID: 139586758

LOTUS: LTS0129706

NPASS: NPC247950

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NPAtlas: NPA013206

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus taichungensis	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Solanum capsicastrum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fleroya stipulosa	Fleroya	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taraxacum disseminatum	Taraxacum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 564.6460000000002

TPSA？: 119.53999999999998

MolLogP？: 2.1756

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi