<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4138</id>
  <title>T3D4084</title>
  <common-name>Veratramine</common-name>
  <description>Veratramine is a hypotensive alkaloid isolated from the rhizomes of Veratrum.</description>
  <cas>60-70-8</cas>
  <pubchem-id>6070</pubchem-id>
  <chemical-formula>C27H39NO2</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></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>Veratramine produces a characteristic excitatory action on the central nervous system, producing both tremor and a characteristic "struggling" behavior. This behavioral excitation is accompanied by changes in serotonin content in hypothalamus. The central serotonin agonist methysergide in doses of 5--15 mg per kg produces a dose-dependent inhibition of veratramine's action, while parachlorophenylalanine has no effect. (A15440)</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>Veratramine is a hypotensive alkaloid isolated from the rhizomes of Veratrum.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:04:53Z</created-at>
  <updated-at type="dateTime">2026-04-03T04:51:24Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10829</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>CHEBI:9951</chebi-id>
  <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>[H][C@](C)(C1=C(C)C2=C(C=C1)[C@]1([H])CC=C3C[C@@]([H])(O)CC[C@]3(C)[C@@]1([H])C2)[C@]1([H])NC[C@@]([H])(C)C[C@@]1([H])O</moldb-smiles>
  <moldb-formula>C27H39NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1</moldb-inchi>
  <moldb-inchikey>MALFODICFSIXPO-KFKQDBFTSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">409.6041</moldb-average-mass>
  <moldb-mono-mass type="decimal">409.298079497</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL464724</chembl-id>
  <chemspider-id>5845</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003044</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00018021</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>52.489999999999995</moldb-polar-surface-area>
  <moldb-refractivity>124.08889999999998</moldb-refractivity>
  <moldb-polarizability>49.65718001457323</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>14.57388006587033</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.913187751691336</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>5</moldb-number-of-rings>
  <moldb-alogps-logp>4.57</moldb-alogps-logp>
  <moldb-alogps-logs>-5.71</moldb-alogps-logs>
  <moldb-alogps-solubility>7.95e-04 g/l</moldb-alogps-solubility>
</compound>
