<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4188</id>
  <title>T3D4134</title>
  <common-name>Taxine B</common-name>
  <description>Taxine B is a cardiotoxic alkaloid found in Yew trees. It is significantly more toxic than its counterpart, taxine A, and has both negative inotropic and atrioventricular conduction delay effects. Taxine B induced AV conduction delay produces the classic increase in the electro-cardiographic QRS complex duration that is observed in people, pigs, and guinea pigs with yew toxicosis. The p wave may also be depressed or absent. Taxine B also acts as a class I antiarrhythmic drug and, thus, reduces cardiac contractility and the maximum rate of depolarization.  (A3254).</description>
  <cas>1361-51-9</cas>
  <pubchem-id>121443</pubchem-id>
  <chemical-formula>C33H45NO8</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 nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Taxine B is a cardiotoxic alkaloid found in Yew trees.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:30:05Z</created-at>
  <updated-at type="dateTime">2026-05-21T01:48:08Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C19989</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>CN(C)C(CC(=O)OC1CCC2(C)C(C(O)C3(O)CC(=O)C(C)=C(C(OC(C)=O)C2O)C3(C)C)C1=C)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C33H45NO8</moldb-formula>
  <moldb-inchi>InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3</moldb-inchi>
  <moldb-inchikey>XMZFIBDTPOUHMW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">583.7123</moldb-average-mass>
  <moldb-mono-mass type="decimal">583.314517421</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>108387</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>CHEM003094</chemdb-id>
  <dsstox-id>DTXSID40276247</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094709</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>133.60000000000002</moldb-polar-surface-area>
  <moldb-refractivity>156.46240000000003</moldb-refractivity>
  <moldb-polarizability>60.99854279140466</moldb-polarizability>
  <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count>
  <moldb-acceptor-count>7</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.924286561487968</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>8.787897039525712</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>2.71</moldb-alogps-logp>
  <moldb-alogps-logs>-4.17</moldb-alogps-logs>
  <moldb-alogps-solubility>3.92e-02 g/l</moldb-alogps-solubility>
</compound>
