Molecule

3-acetyl-2,5-diaminocyclohexa-2,5-diene-1,4-dione

AlkaPlorer ID: AK261569

Synonym: None

IUPAC Name: 5-acetyl-3-amino-4-hydroxy-6-iminocyclohexa-2,4-dien-1-one

Structure

SMILES: CC(=O)C1=C(N)C(=O)C=C(N)C1=O

InChI: InChI=1S/C8H8N2O3/c1-3(11)6-7(10)5(12)2-4(9)8(6)13/h2H,9-10H2,1H3

InChIKey: XJXIUQPPOIKELA-UHFFFAOYSA-N

Reference

A benzoquinone from Cynanchum wilfordii

LOTUS: LTS0190832

SuperNatural Ⅲ: SN0432221

NPASS: NPC194155

COCONUT: CNP0151691

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bromelia pinguin	Bromelia	Bromeliaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Periplaneta americana	Periplaneta	Blattidae	Blattodea	Insecta	Arthropoda	Metazoa	Eukaryota
Helicoon richonis	Helicoon	Venturiaceae	Venturiales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Axinella polypoides	Axinella	Axinellidae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota
Marsupella aquatica	Marsupella	Gymnomitriaceae	Jungermanniales	Jungermanniopsida	Streptophyta	Viridiplantae	Eukaryota
Flemingia philippinensis	Flemingia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cynanchum wilfordii	Cynanchum	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrobium gibsonii	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thalictrum aquilegiifolium	Thalictrum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Indigofera tinctoria	Indigofera	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Harpullia ramiflora	Harpullia	Sapindaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Croton urucurana	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mesembryanthemum tortuosum	Mesembryanthemum	Aizoaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Paenibacillus thiaminolyticus	Paenibacillus	Paenibacillaceae	Bacillales	Bacilli	Bacillota	None	Bacteria
Picea engelmannii	Picea	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Jacobaea othonnae	Jacobaea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 180.163

TPSA？: 103.25

MolLogP？: -1.2173999999999998

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi