<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4096</id>
  <title>T3D4042</title>
  <common-name>alpha-Solanine</common-name>
  <description>alpha-Solanine is a solid compound with the chemical formula C45H73NO15. alpha-Solanine belongs to the steroidal glycosides, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 868.06 g/mol, alpha-Solanine is a heavy molecule. This exogenous plant metabolite acts as a phytotoxin and an apoptosis inducer, and it is applied as an antineoplastic agent.

The compound is found in 13 recorded sources across multiple sectors. These include electrical and electronic equipment, such as batteries, capacitors, cell phones, printed circuit boards, and wires and cables. It is also present in lubricants used in industrial manufacturing, chemical processing, and the energy, oil, and gas sectors. Other sources include medical devices within healthcare, pharmaceuticals, and veterinary products; food packaging within the food, food processing, and cookware sector; and furnishings, leather, and textiles, specifically synthetic textiles and carpets and rugs. Recorded exposure routes for alpha-Solanine include oral, inhalation, and touch.</description>
  <cas>20562-02-1</cas>
  <pubchem-id>262500</pubchem-id>
  <chemical-formula>C45H73NO15</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>286°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity>Solanum glycoalkaloids can inhibit cholinesterase, disrupt cell membranes, and be teratogenic (cause birth defects). One study suggests that the toxic mechanism of solanine is caused by the chemical's interaction with mitochondrial membranes. Experiments show that solanine exposure opens the potassium channels of mitochondria, decreasing their membrane potential. This in turn leads to Ca2+ being transported from the mitochondria into the cytoplasm, and it is this increased concentration of Ca2+ in the cytoplasm that triggers cell damage and apoptosis. (Wikipedia)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>alpha-Solanine is found in alcoholic beverages.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:55:32Z</created-at>
  <updated-at type="dateTime">2026-04-06T02:23:35Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10820</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O</moldb-smiles>
  <moldb-formula>C45H73NO15</moldb-formula>
  <moldb-inchi>InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3</moldb-inchi>
  <moldb-inchikey>ZGVSETXHNHBTRK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">868.0588</moldb-average-mass>
  <moldb-mono-mass type="decimal">867.498020671</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB34202</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>230519</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003002</chemdb-id>
  <dsstox-id>DTXSID9030707</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094845</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>240.68999999999994</moldb-polar-surface-area>
  <moldb-refractivity>216.55360000000005</moldb-refractivity>
  <moldb-polarizability>96.6846074204831</moldb-polarizability>
  <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count>
  <moldb-acceptor-count>16</moldb-acceptor-count>
  <moldb-donor-count>9</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.220431599446615</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>11.784741339747352</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>9</moldb-number-of-rings>
  <moldb-alogps-logp>1.29</moldb-alogps-logp>
  <moldb-alogps-logs>-3.15</moldb-alogps-logs>
  <moldb-alogps-solubility>6.19e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Steroids and steroid derivatives</klass>
  <subklass>Steroidal glycosides</subklass>
  <paper-count type="integer">283</paper-count>
  <sync-id>CED0009259</sync-id>
  <structure-inchikey>ZGVSETXHNHBTRK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>51080000400000000008000000001000000000000000000800000020100000000000000000000000800000000000000000000000000001000000000004000800100400002000000000002002002000000008004000001000010200110000000000000000100000000000000040000000001000201000000000000000100401000040000480004000040000000000008002000020000000000102000004004200008000400160000000000000c00024000000000000000000401000000080000000000000000000000080000000000000400004000000280000000004800040108000020000048000000400c0000000040000003000000400000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA9AAAARQAAAIABBgBgAAAAAQMGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:01:04Z</structure-indexed-at>
</compound>
