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Solasodine

AlkaPlorer ID: AK000152

Synonym: '', 'Solasod 5-ene 3?-ol', 'Solasodine', 'Solancarpidine', 'Purapuridine', 'Tomatidenol'

IUPAC Name: (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol

Structure

SMILES: C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C

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InChI: InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

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InChIKey: KWVISVAMQJWJSZ-VKROHFNGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Rattus norvegicus Rattus Muridae Rodentia Mammalia Chordata Metazoa Eukaryota
Primula denticulata Primula Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Turnera ulmifolia Turnera Passifloraceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Clerodendrum infortunatum Clerodendrum Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Carassius auratus Carassius Cyprinidae Cypriniformes Actinopteri Chordata Metazoa Eukaryota
Teclea natalensis Teclea Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ardisia sieboldii Ardisia Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anaphalis margaritacea Anaphalis Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Streptococcus pneumoniae Streptococcus Streptococcaceae Lactobacillales Bacilli Bacillota None Bacteria
Mercurialis leiocarpa Mercurialis Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Theonella mirabilis Theonella Theonellidae Tetractinellida Demospongiae Porifera Metazoa Eukaryota
Solanum aculeatissimum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Carissa spinarum Carissa Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sphyrna zygaena Sphyrna Carcharhinidae Carcharhiniformes Chondrichthyes Chordata Metazoa Eukaryota
Bipolaris maydis Bipolaris Pleosporaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Climacodon septentrionalis Climacodon Meruliaceae Polyporales Agaricomycetes Basidiomycota Fungi Eukaryota
Chloranthus holostegius Chloranthus Chloranthaceae Chloranthales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum nigrum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Methylomonas methanica Methylomonas Methylococcaceae Methylococcales Gammaproteobacteria Pseudomonadota None Bacteria
Stilpnopappus tomentosus Stilpnopappus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Euphorbia cattimandoo Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhamnus pallasii Rhamnus Rhamnaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Argyrotaenia velutinana Argyrotaenia Tortricidae Lepidoptera Insecta Arthropoda Metazoa Eukaryota
Spinacia oleracea Spinacia Chenopodiaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Crotalaria prostrata Crotalaria Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Paeonia veitchii Paeonia Paeoniaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Neolitsea sericea Neolitsea Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Artocarpus lowii Artocarpus Moraceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hymenocallis rotata Hymenocallis Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plantago ovata Plantago Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hemiphragma heterophyllum Hemiphragma Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lasianthus wallichii Lasianthus Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tambja ceutae Tambja Polyceridae Nudibranchia Gastropoda Mollusca Metazoa Eukaryota
Angelica sinensis Angelica Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Oncorhynchus keta Oncorhynchus Salmonidae Salmoniformes Actinopteri Chordata Metazoa Eukaryota
Achillea pratensis Achillea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Boronia lanceolata Boronia Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stachys inflata Stachys Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Solanum glaucophyllum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Quercus petraea Quercus Fagaceae Fagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Campanula pendula Campanula Campanulaceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Caenorhabditis elegans Caenorhabditis Rhabditidae Rhabditida Chromadorea Nematoda Metazoa Eukaryota
Ochradenus baccatus Ochradenus Resedaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Podocarpus sellowii Podocarpus Podocarpaceae Araucariales Pinopsida Streptophyta Viridiplantae Eukaryota
Vitis labrusca Vitis Vitaceae Vitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dictyota spinulosa Dictyota Dictyotaceae Dictyotales Phaeophyceae None None Eukaryota
Nicotiana longiflora Nicotiana Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ganoderma sinense Ganoderma Polyporaceae Polyporales Agaricomycetes Basidiomycota Fungi Eukaryota
Lomandra hastilis Lomandra Asparagaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pteromys volans Pteromys Sciuridae Rodentia Mammalia Chordata Metazoa Eukaryota
Xanthoparmelia tinctina Xanthoparmelia Parmeliaceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Solanum umbellatum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Casearia lucida Casearia Salicaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dysosma pleiantha Dysosma Berberidaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhamnus procumbens Rhamnus Rhamnaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Teucrium lucidum Teucrium Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 413.6460000000003

TPSA？: 41.49

MolLogP？: 5.2869000000000055

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Candida albicans (strain WO-1) (Yeast) ATP-dependent molecular chaperone HSP82 EC50 132.0 nM None
Candida albicans (strain WO-1) (Yeast) ATP-dependent molecular chaperone HSP82 EC50 160000.0 nM None
Candida dubliniensis (strain CD36 / CBS 7987 / NCPF 3949 / NRRLY-17841) (Yeast) Serine/threonine-protein phosphatase EC50 180000.0 nM None
Homo sapiens Cellular tumor antigen p53 Potency 14125.4 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 8436.8 nM None
Plasmodium falciparum Plasmodium falciparum Potency 3.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 1852.6 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 562.3 nM None
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 EC50 272.0 nM None
None Unchecked EC50 160000.0 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014009 C[C@H]1C2[C@H](CC3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2>>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2 MNXR176273
AKRT014145 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2 enzymemap_35148