<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4145</id>
  <title>T3D4091</title>
  <common-name>Rugulosin</common-name>
  <description>Rugulosin is an intense yellow pigment produced by some fungal species of Penicillium, Aspergillus and the fungal symbiotants of some lichens. Rugulosin shows antibacterial and insecticidal activity and has found application as a bioinsecticide, notably as the active secondary metabolite in endophytic fungi of seedlings. Rugulosin (+ form) is an inhibitor of RNA Polymerase and RNase.  (A3226, A3227).</description>
  <cas>23537-16-8</cas>
  <pubchem-id>10053075</pubchem-id>
  <chemical-formula>C30H22O10</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>3, not classifiable as to its carcinogenicity to humans. (L135)</carcinogenicity>
  <use-source>This is a natural compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:06:53Z</created-at>
  <updated-at type="dateTime">2026-05-21T02:15:02Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C16764</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>CC1=CC2=C(C(O)=C1)C(=O)C1=C(O)C3C(O)C4C5C(O)C(C(O)=C6C(=O)C7=C(C=C(C)C=C7O)C(=O)C356)C14C2=O</moldb-smiles>
  <moldb-formula>C30H22O10</moldb-formula>
  <moldb-inchi>InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-32,35-38H,1-2H3</moldb-inchi>
  <moldb-inchikey>OYNIPTDPTUSUAY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">542.4897</moldb-average-mass>
  <moldb-mono-mass type="decimal">542.121296924</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>19968911</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>CHEM003051</chemdb-id>
  <dsstox-id>DTXSID40891838</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094913</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>189.65999999999997</moldb-polar-surface-area>
  <moldb-refractivity>140.2298</moldb-refractivity>
  <moldb-polarizability>53.10356712277119</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>10</moldb-acceptor-count>
  <moldb-donor-count>6</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.295401146271626</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.043227205442209</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>8</moldb-number-of-rings>
  <moldb-alogps-logp>1.95</moldb-alogps-logp>
  <moldb-alogps-logs>-3.03</moldb-alogps-logs>
  <moldb-alogps-solubility>5.07e-01 g/l</moldb-alogps-solubility>
</compound>
