<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4019</id>
  <title>T3D3965</title>
  <common-name>O-Desmethylangolensin</common-name>
  <description>O-Desmethylangolensin (ODMA) is a metabolite of the soy isoflavone daidzein by intestinal bacteria in approximately 80-90% of persons. Studies suggest beneficial health effects associated with daidzein-metabolizing phenotypes, and there is some small association between ODMA production and some phenotypes. Few dietary factors are associated with daidzein-metabolizing phenotypes. However, it remains unclear why some, but not all, persons harbor ODMA-producing bacteria. ODMA production is inversely associated with age, height, weight, and body mass index. In addition, Asians are less likely than whites to be ODMA producers, and former smokers were more likely than never smokers to be ODMA producers. Investigators have attempted to identify the bacteria involved in ODMA production, and several candidate bacteria were associated, but not definitely identified. ODMA production is correlated with the abundance of methanogens, indicating that the metabolic fate of daidzein may be related to intestinal H(2) metabolism.  (A3192, A3193).</description>
  <cas>21255-69-6</cas>
  <pubchem-id>89472</pubchem-id>
  <chemical-formula>C15H14O4</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>O-desmethylangolensin (ODMA) exerts androgen receptor antagonistic activity and agonistic activity towards estrogen receptor (ER)-α and ERβ. The structure of ODMA is somewhat similar to estrogen. (A15413)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:47:47Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:35Z</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>CC(C(=O)C1=C(O)C=C(O)C=C1)C1=CC=C(O)C=C1</moldb-smiles>
  <moldb-formula>C15H14O4</moldb-formula>
  <moldb-inchi>InChI=1/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=JDJPNKPFDDUBFV-UHFFFAOYNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">258.2693</moldb-average-mass>
  <moldb-mono-mass type="decimal">258.089208936</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB04629</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>80750</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>Salakka, A.; Wahala, K.  Synthesis of a-methyldeoxybenzoins.    Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry  (1999),   (18),  2601-2604. </synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
