Molecule

Sophoridine

AlkaPlorer ID: AK001775

Synonym: None

IUPAC Name: (1R,2R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

Structure

SMILES: O=C1CCC[C@@H]2[C@H]3CCCN4CCC[C@H](CN12)[C@@H]34

InChI: InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12-,13-,15+/m1/s1

InChIKey: ZSBXGIUJOOQZMP-BHPKHCPMSA-N

Reference

Determination of quinolizidine alkaloids in traditional Chinese herbal drugs by nonaqueous capillary electrophoresis

PubChem CID: 165549

CAS: 519-02-8

LOTUS: LTS0197191

SuperNatural Ⅲ: SN0478798-02

NPASS: NPC48448

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Abelia chinensis	Abelia	Caprifoliaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Atraphaxis spinosa	Atraphaxis	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Baccharis neglecta	Baccharis	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Theonella conica	Theonella	Theonellidae	Tetractinellida	Demospongiae	Porifera	Metazoa	Eukaryota
Shigella dysenteriae	Shigella	Enterobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Lycogala epidendrum	Lycogala	Enteridiidae	Liceales	Eumycetozoa	Evosea	None	Eukaryota
Lycogala epidendrum	Lycogala	Enteridiidae	Liceales	Eumycetozoa	Evosea	None	Eukaryota
Plathymenia reticulata	Plathymenia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Clerodendrum bungei	Clerodendrum	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Simarouba glauca	Simarouba	Simaroubaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Siphonaria capensis	Siphonaria	Siphonariidae	Siphonariida	Gastropoda	Mollusca	Metazoa	Eukaryota
Erysimum leptophyllum	Erysimum	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helichrysum tenuifolium	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tricholoma columbetta	Tricholoma	Tricholomataceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Conus mus	Conus	Conidae	Neogastropoda	Gastropoda	Mollusca	Metazoa	Eukaryota
Morella rubra	Morella	Myricaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sophora tonkinensis	Sophora	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Myxococcus stipitatus	Myxococcus	Myxococcaceae	Myxococcales	Myxococcia	Myxococcota	None	Bacteria
Erythrina melanacantha	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chondrodendron tomentosum	Chondrodendron	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Esenbeckia leiocarpa	Esenbeckia	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Centaurea maculosa	Centaurea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pancratium sickenbergeri	Pancratium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhinella marina	Rhinella	Bufonidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota
Pteridium esculentum	Pteridium	Dennstaedtiaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Piper regnellii	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Onopordum acanthium	Onopordum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Haplophyllum obtusifolium	Haplophyllum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Embelia schimperi	Embelia	Primulaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sophora flavescens	Sophora	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Monsonia senegalensis	Monsonia	Geraniaceae	Geraniales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Embelia parviflora	Embelia	Primulaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Epilobium hirsutum	Epilobium	Onagraceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ephedra sinica	Ephedra	Ephedraceae	Ephedrales	Gnetopsida	Streptophyta	Viridiplantae	Eukaryota
Asimina parviflora	Asimina	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lythrum salicaria	Lythrum	Lythraceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gymnocalycium schickendantzii	Gymnocalycium	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 248.36999999999995

TPSA？: 23.550000000000004

MolLogP？: 1.8717

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Enterovirus A71	Enterovirus A71	Activity	nan	None	10.1016/j.bmcl.2015.06.097
Hepatitis B virus	Hepatitis B virus	Inhibition	21.9	%	10.1021/acs.jnatprod.8b00576
Hepatitis B virus	Hepatitis B virus	Inhibition	40.2	%	10.1021/acs.jnatprod.8b00576
Homo sapiens	A549	IC50	80000.0	nM	10.1016/j.bmcl.2015.09.010
Homo sapiens	A549	IC50	5836000.0	nM	10.1016/j.ejmech.2018.07.028
Homo sapiens	CNE-2	IC50	5379000.0	nM	10.1016/j.ejmech.2018.07.028
Homo sapiens	DNA topoisomerase I	Inhibition	nan	%	10.1016/j.bmcl.2011.07.038
Homo sapiens	HeLa	IC50	4332000.0	nM	10.1016/j.bmc.2018.07.001
Homo sapiens	HepG2	Activity	0.97	g	10.1016/j.ejmech.2018.07.028
Homo sapiens	HepG2	Activity	1204.27	mm3	10.1016/j.ejmech.2018.07.028
Homo sapiens	HepG2	Activity	nan	None	10.1016/j.ejmech.2018.07.028
Homo sapiens	HepG2	Activity	nan	None	10.1021/ml500289h
Homo sapiens	HepG2	IC50	20.0	ug.mL-1	10.1016/j.ejmech.2014.04.069
Homo sapiens	HepG2	IC50	1160.0	ug.mL-1	10.1016/j.bmcl.2015.08.035
Homo sapiens	HepG2	IC50	80000.0	nM	10.1021/ml500289h
Homo sapiens	HepG2	IC50	4509000.0	nM	10.1016/j.bmc.2018.07.001
Homo sapiens	HepG2	IC50	4670000.0	nM	10.1016/j.ejmech.2018.07.028
Homo sapiens	HepG2	IC50	4670000.0	nM	10.1016/j.ejmech.2018.08.021
Homo sapiens	HepG2	Inhibition	13.8	%	10.1016/j.bmcl.2011.07.038
Homo sapiens	HepG2	Ratio	1.22	None	10.1016/j.ejmech.2020.112315
Homo sapiens	HepG2	T/C	93.38	%	10.1016/j.ejmech.2018.07.028
Homo sapiens	HepG2	TGI	nan	None	10.1016/j.ejmech.2018.08.021
Homo sapiens	HepG2 2.2.15	GI	25.0	%	10.1021/acs.jnatprod.8b00576
Homo sapiens	KB	IC50	80000.0	nM	10.1016/j.bmcl.2015.09.010
Homo sapiens	MCF7	IC50	80000.0	nM	10.1016/j.bmcl.2015.09.010
Homo sapiens	MDA-MB-231	IC50	80000.0	nM	10.1016/j.bmcl.2015.09.010
Mus musculus	Mus musculus	Activity	nan	None	10.1016/j.bmcl.2015.06.097
None	NON-PROTEIN TARGET	IC50	80000.0	nM	10.1016/j.bmcl.2015.09.010