Molecule

Lupinine

AlkaPlorer ID: AK012508

Synonym: None

IUPAC Name: [(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methanol

SMILES: OC[C@@H]1CCC[NH+]2CCCC[C@H]12

InChI: InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/p+1/t9-,10+/m0/s1

InChIKey: HDVAWXXJVMJBAR-VHSXEESVSA-O

PubChem CID: 6993842

LOTUS: LTS0013907

SuperNatural Ⅲ: SN0122893-05

NPASS: NPC112398

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Anabasis aphylla	Anabasis	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lupinus luteus	Lupinus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 170.27599999999998

TPSA？: 24.67

MolLogP？: -0.1738999999999992

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Chlamydia pneumoniae	Chlamydia pneumoniae	Inhibition	28.2	%	10.1021/acs.jnatprod.6b01052
Electrophorus electricus	Acetylcholinesterase	Inhibition	1.61	%	10.1016/j.bmc.2012.09.040
Equus caballus	Cholinesterase	Inhibition	-7.44	%	10.1016/j.bmc.2012.09.040
Homo sapiens	HL	Activity	98.7	%	10.1021/acs.jnatprod.6b01052
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Inhibition	114.38	%	10.1124/mol.112.084152
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Inhibition	90.27	%	10.1124/mol.112.084152
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402
None	Unchecked	IC50	190000.0	nM	10.1021/np50111a026
None	Unchecked	IC50	500000.0	nM	10.1021/np50111a026