Molecule

Sophocarpine

AlkaPlorer ID: AK002621

Synonym: None

IUPAC Name: (1R,2R,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one

Structure

SMILES: O=C1C=CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34

InChI: InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1

InChIKey: AAGFPTSOPGCENQ-JLNYLFASSA-N

Reference

Preparative separation of alkaloids from the root of Sophora flavescens Ait by pH-zone-refining counter-current chromatography

PubChem CID: 115269

CAS: 145572-44-7

LOTUS: LTS0179391

SuperNatural Ⅲ: SN0000211-04

NPASS: NPC127430

Source

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

Properties Information

Molecule Weight: 246.354

TPSA？: 23.550000000000004

MolLogP？: 1.6477

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Coxsackievirus B3	Coxsackievirus B3	Inhibition	nan	%	10.1021/acs.jnatprod.5b00325
Enterovirus A71	Enterovirus A71	Activity	nan	None	10.1016/j.bmcl.2015.06.097
Hepatitis B virus	Hepatitis B virus	Activity	21.6	%	10.1016/j.bmcl.2005.11.073
Hepatitis B virus	Hepatitis B virus	Activity	31.4	%	10.1016/j.bmcl.2005.11.073
Hepatitis B virus	Hepatitis B virus	Activity	34.6	%	10.1016/j.bmcl.2005.11.073
Hepatitis B virus	Hepatitis B virus	Activity	57.2	%	10.1016/j.bmcl.2005.11.073
Homo sapiens	A549	IC50	40000.0	nM	10.1016/j.bmcl.2015.09.010
Homo sapiens	HepG2	Activity	25.0	%	10.1016/j.bmcl.2005.11.073
Homo sapiens	HepG2	Ratio	1.11	None	10.1016/j.ejmech.2020.112315
Homo sapiens	HepG2 2.2.15	Inhibition	21.6	%	10.1021/jm101325h
Homo sapiens	Histone deacetylase 6	Inhibition	7.26	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	7.94	%	10.6019/CHEMBL4808148
Homo sapiens	KB	IC50	40000.0	nM	10.1016/j.bmcl.2015.09.010
Homo sapiens	MCF7	IC50	nan	None	10.1016/j.bmcl.2015.09.010
Homo sapiens	MDA-MB-231	IC50	40000.0	nM	10.1016/j.bmcl.2015.09.010
Influenza A virus	Influenza A virus	Inhibition	nan	%	10.1021/acs.jnatprod.5b00325
Mus musculus	Mus musculus	Activity	nan	None	10.1016/j.bmcl.2015.06.097
Mus musculus	RAW264.7	Activity	nan	None	10.1016/j.bmcl.2010.09.075
Mus musculus	RAW264.7	IC50	200000.0	nM	10.1016/j.bmcl.2010.09.075
Mus musculus	RAW264.7	Inhibition	40.0	%	10.1016/j.ejmech.2021.113165
Mus musculus	RAW264.7	Inhibition	nan	%	10.1016/j.bmcl.2010.09.075
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	8.041	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	15.21	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	0.0	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	0.07	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	31.63	%	10.21203/rs.3.rs-23951/v1
None	NON-PROTEIN TARGET	IC50	40000.0	nM	10.1016/j.bmcl.2015.09.010
None	NON-PROTEIN TARGET	Potency	0.6	nM	None
None	NON-PROTEIN TARGET	Potency	1.2	nM	None
None	NON-PROTEIN TARGET	Potency	749.3	nM	None
None	NON-PROTEIN TARGET	Potency	8407.1	nM	None
None	Unchecked	FC	3.47	None	10.1016/j.bmcl.2010.09.075