Molecule

sparteine

AlkaPlorer ID: AK002770

Synonym: '', 'alpha-Isosparteine', "(7S,7aS,14S,14aR)-dodecahydro-7,14-methano-2H,6H-dipyrido1,2-a:1',2'-e1,5diazocine", '(-)-Dehydrosparteine', 'Sparteine', '(-)-Spartein', "7S-(7alpha,7aalpha,14alpha,14abeta)-dodecahydro-7,14-methano-2H,6H-dipyrido1,2-a:1',2'-e1,5diazocine", '6beta,7alpha,9alpha,11alpha-pachycarpine', 'Dehydrosparteine', 'lupinidine', '(+/-)-Sparteine', 'Spartein', 'l-sparteine', '(-)-Sparteine', 'beta-Isosparteine'

IUPAC Name: (1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

Structure

SMILES: C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]2C1

InChI: InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14+,15+/m0/s1

InChIKey: SLRCCWJSBJZJBV-BYNSBNAKSA-N

Reference

A Survey of Alkaloids in Spartium junceum L. (Genisteae-Fabaceae)

PubChem CID: 92759

LOTUS: LTS0009315

SuperNatural Ⅲ: SN0348950-03

NPASS: NPC151004

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Brickellia cylindracea	Brickellia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crotalaria medicaginea	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rubus lambertianus	Rubus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fritillaria stenanthera	Fritillaria	Liliaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cytisus scoparius	Cytisus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Yucca recurvifolia	Yucca	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 234.38699999999992

TPSA？: 6.48

MolLogP？: 2.3451000000000004

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Canis lupus familiaris	MDCK	CC50	80000.0	nM	10.1021/ml500236n
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	Potency	15848.9	nM	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	Histone acetyltransferase GCN5	Potency	11220.2	nM	None
Homo sapiens	Prelamin-A/C	Potency	316.2	nM	None
Influenza A virus	Influenza A virus	EC50	21300.0	nM	10.1021/ml500236n
Plasmodium falciparum	Plasmodium falciparum	Potency	9074.3	nM	None