<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">22224</id>
  <title nil="true"/>
  <common-name>Oryzanol</common-name>
  <description>Oryzanol belongs to the cycloartanols and derivatives, a subclass of steroids and steroid derivatives within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules and has the formula C40H58O4. With an average molecular weight of 602.89 g/mol, Oryzanol is a heavy molecule.</description>
  <cas></cas>
  <pubchem-id>12313778</pubchem-id>
  <chemical-formula>C40H58O4</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <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 nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-25T02:58:11Z</created-at>
  <updated-at type="dateTime">2026-04-02T22:56:44Z</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(O)C=CC(\C=C\C(=O)O[C@H]2CC[C@]34C[C@]33CC[C@]5(C)[C@H](CC[C@@]5(C)C3CCC4C2(C)C)C(C)CCC=C(C)C)=C1</moldb-smiles>
  <moldb-formula>C40H58O4</moldb-formula>
  <moldb-inchi>InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27?,29-,32?,33?,34+,37-,38+,39-,40+/m1/s1</moldb-inchi>
  <moldb-inchikey>FODTZLFLDFKIQH-AEUNZGHWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">602.8861</moldb-average-mass>
  <moldb-mono-mass type="decimal">602.433510344</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4445360</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM021119</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00013928</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>55.760000000000005</moldb-polar-surface-area>
  <moldb-refractivity>180.04499999999996</moldb-refractivity>
  <moldb-polarizability>74.83422652945717</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>9.867760967411257</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-4.888815245557855</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>6</moldb-number-of-rings>
  <moldb-alogps-logp>8.54</moldb-alogps-logp>
  <moldb-alogps-logs>-7.65</moldb-alogps-logs>
  <moldb-alogps-solubility>1.36e-05 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Steroids and steroid derivatives</klass>
  <subklass>Cycloartanols and derivatives</subklass>
  <paper-count type="integer">764</paper-count>
  <sync-id>CED0005847</sync-id>
  <structure-inchikey>FODTZLFLDFKIQH-AEUNZGHWSA-N</structure-inchikey>
  <structure-fingerprint>40800241000000000000800000000000000000000001800000008000000020400000001000000200000000000000000000004000000000000000000300080000000000400418000000000000020000000020000000000300008000001000000000040000010800001040000000100000000000020000200000000000000010500800000048004000000000000200000000208000000000000000000000400028000000080004000000000000080000000000000800000000100000000000000080a00000020200002100000000000000000000040000000000000240000000000000800008000000000060020000000400000000000020000000000000004040</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAsAAAAMQAAAIABBgBgAAAAAQMIACgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:08:48Z</structure-indexed-at>
</compound>
