Molecule

Anagyrine

AlkaPlorer ID: AK008461

Synonym: 'Thermospine', '(-)-Thermopsine', 'THERMOPSINE,1-', '(-)-Anagyrine', "7,14-Methano-4H,6H-dipyrido1,2-a:1',2'-e1,5diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, 7R-(7.alpha.,7a.alpha.,14.alpha.)-", 'Anagyrine', 'Thermopsine'

IUPAC Name: (1S,9S,10R)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one

Structure

SMILES: O=C1C=CC=C2[C@H]3C[C@@H](CN21)[C@H]1CCCC[NH+]1C3

InChI: InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/p+1/t11-,12-,13+/m0/s1

InChIKey: FQEQMASDZFXSJI-RWMBFGLXSA-O

Reference

The major alkaloids of the genus Argyrolobium

PubChem CID: 11859174

LOTUS: LTS0129155

SuperNatural Ⅲ: SN0092529-12

NPASS: NPC234822

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Calonectria kyotensis	Calonectria	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Solanum tequilense	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cryptocarya amygdalina	Cryptocarya	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces echinoruber	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Dendrobium cariniferum	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leucospermum reflexum	Leucospermum	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Melilotus messanensis	Melilotus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 245.34599999999995

TPSA？: 26.44

MolLogP？: 0.4028000000000005

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus anthracis	Anthrax lethal factor	Potency	12589.3	nM	None
Homo sapiens	Cytochrome P450 2C19	Potency	12589.3	nM	None
Homo sapiens	Cytochrome P450 2D6	Potency	25118.9	nM	None
Homo sapiens	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Potency	31622.8	nM	None