<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4160</id>
  <title>T3D4106</title>
  <common-name>Euphornin</common-name>
  <description>Euphornin (C33H44O9) is one type of diterpenoids, which is also one of the main bioactive constituents with maximal content of E. helioscopia L., a spurge plant often used as a herbal remedy in Chinese medicine  (A3234).</description>
  <cas>80454-47-3</cas>
  <pubchem-id>6440619</pubchem-id>
  <chemical-formula>C33H44O9</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>Euphornin (C33H44O9) is one type of diterpenoids, which is also one of the main bioactive constituents with maximal content of E. helioscopia L., a spurge plant often used as a herbal remedy in Chinese medicine  (A3234).</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:10:12Z</created-at>
  <updated-at type="dateTime">2026-05-21T00:39:42Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C19991</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([H])\C(C)(C)C(CC(OC(C)=O)\C(C)=C([H])/C2C(OC(=O)C3=CC=CC=C3)C(C)CC2(O)C(OC(C)=O)C1C)OC(C)=O</moldb-smiles>
  <moldb-formula>C33H44O9</moldb-formula>
  <moldb-inchi>InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16-</moldb-inchi>
  <moldb-inchikey>BRVXVMOWTHQKHC-LVYIKVSWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">584.6971</moldb-average-mass>
  <moldb-mono-mass type="decimal">584.298533006</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>30790900</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>CHEM003066</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00093862</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>125.43000000000002</moldb-polar-surface-area>
  <moldb-refractivity>156.39130000000003</moldb-refractivity>
  <moldb-polarizability>62.47047307356957</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>13.427769054125982</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.4864938157252956</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>4.24</moldb-alogps-logp>
  <moldb-alogps-logs>-5.62</moldb-alogps-logs>
  <moldb-alogps-solubility>1.39e-03 g/l</moldb-alogps-solubility>
</compound>
