<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4165</id>
  <title>T3D4111</title>
  <common-name>Fusaproliferin</common-name>
  <description>Fusaproliferin is a toxic metabolite originally isolated from cultures of F. proliferatum. It is a sesterterpene compound that has toxic activity against brine shrimp (Artemia salina L.), insect cells, and human B lymphocytes and has teratogenic effects on chicken embryos  (A3238, A3239).</description>
  <cas></cas>
  <pubchem-id>6506535</pubchem-id>
  <chemical-formula>C27H42O5</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>Fusaproliferin is a toxic metabolite originally isolated from cultures of F. proliferatum.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:16:58Z</created-at>
  <updated-at type="dateTime">2026-04-06T17:02:18Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C20591</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>[H]\C1=C(C)\CCC(O)C(C)CCC2C(C(C)COC(C)=O)=C(O)C(=O)C2(C)C\C([H])=C(C)/CC1</moldb-smiles>
  <moldb-formula>C27H42O5</moldb-formula>
  <moldb-inchi>InChI=1S/C27H42O5/c1-17-8-7-9-18(2)14-15-27(6)22(12-11-19(3)23(29)13-10-17)24(25(30)26(27)31)20(4)16-32-21(5)28/h8,14,19-20,22-23,29-30H,7,9-13,15-16H2,1-6H3/b17-8-,18-14-</moldb-inchi>
  <moldb-inchikey>NXAIHHHELDCRMP-XDORWZGFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">446.6194</moldb-average-mass>
  <moldb-mono-mass type="decimal">446.303224454</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>5005794</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>CHEM003071</chemdb-id>
  <dsstox-id>DTXSID001017597</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00134357</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>83.83</moldb-polar-surface-area>
  <moldb-refractivity>130.51309999999995</moldb-refractivity>
  <moldb-polarizability>50.44944193641974</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>9.151998244657307</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-0.9817398469957</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>4.80</moldb-alogps-logp>
  <moldb-alogps-logs>-5.03</moldb-alogps-logs>
  <moldb-alogps-solubility>4.13e-03 g/l</moldb-alogps-solubility>
</compound>
