<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3746</id>
  <title>T3D3693</title>
  <common-name>Xanthomegnin</common-name>
  <description>Xanthomegnin is a mutagenic mycotoxin isolated from Penicillium citreo-viride. It is known to cause nephropathy and death in farm animals exposed to food-borne Penicillium (and Aspergillus fungi).  In humans and animals, oral intake of xanthomegnin leads to kidney and liver abnormalities, often first presenting as jaundice. Death may result. The compound has been shown to interfere with cellular respiratory processes and has given positive results in tests for genotoxic potential.</description>
  <cas>1685-91-2</cas>
  <pubchem-id>15519</pubchem-id>
  <chemical-formula>C30H22O12</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)</route-of-exposure>
  <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>Xanthomegnin is a mutagenic mycotoxin isolated from Penicillium citreo-viride.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2010-04-24T23:57:44Z</created-at>
  <updated-at type="dateTime">2026-04-06T13:37:48Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <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>COC1=C(C(=O)C2=C(O)C3=C(CC(C)OC3=O)C=C2C1=O)C1=C(OC)C(=O)C2=CC3=C(C(=O)OC(C)C3)C(O)=C2C1=O</moldb-smiles>
  <moldb-formula>C30H22O12</moldb-formula>
  <moldb-inchi>InChI=1S/C30H22O12/c1-9-5-11-7-13-17(23(33)15(11)29(37)41-9)25(35)19(27(39-3)21(13)31)20-26(36)18-14(22(32)28(20)40-4)8-12-6-10(2)42-30(38)16(12)24(18)34/h7-10,33-34H,5-6H2,1-4H3</moldb-inchi>
  <moldb-inchikey>WICHONPZVIYWIJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">574.4885</moldb-average-mass>
  <moldb-mono-mass type="decimal">574.111126168</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>14766</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>CHEM002662</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00126315</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>179.79999999999998</moldb-polar-surface-area>
  <moldb-refractivity>146.98279999999997</moldb-refractivity>
  <moldb-polarizability>57.06414153705741</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>10</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>8.87880537755783</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.193697185580163</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>6</moldb-number-of-rings>
  <moldb-alogps-logp>3.24</moldb-alogps-logp>
  <moldb-alogps-logs>-4.62</moldb-alogps-logs>
  <moldb-alogps-solubility>1.37e-02 g/l</moldb-alogps-solubility>
</compound>
