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Sophoramine

AlkaPlorer ID: AK002673

Synonym: '', 'Sophoramine'

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

Structure

SMILES: O=C1C=CC=C2[C@H]3CCCN4CCC[C@@H](CN21)[C@@H]34

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InChI: InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15-/m0/s1

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InChIKey: MMCQRJPAMIHLQX-ZOWXZIJZSA-N

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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: 244.338

TPSA？: 25.24

MolLogP？: 1.8199

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Canis lupus familiaris MDCK TC50 272.86 uM 10.1021/acs.jnatprod.5b00325
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 Inhibition 13.5 % 10.1021/acs.jnatprod.8b00576
Hepatitis B virus Hepatitis B virus Inhibition 29.5 % 10.1021/acs.jnatprod.8b00576
Homo sapiens A549 IC50 40000.0 nM 10.1016/j.bmcl.2015.09.010
Homo sapiens HepG2 2.2.15 GI 25.0 % 10.1021/acs.jnatprod.8b00576
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 IC50 63070.0 nM 10.1021/acs.jnatprod.5b00325
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2015.06.097
None NON-PROTEIN TARGET IC50 40000.0 nM 10.1016/j.bmcl.2015.09.010
None Unchecked Selectivity Index 4.3 None 10.1021/acs.jnatprod.5b00325

Metabolism Information