<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:06:37 UTC</creation_date>
  <update_date>2025-11-18 22:58:46 UTC</update_date>
  <accession>FDB005293</accession>
  <name>PL</name>
  <description>Pl, also known as ddaxhpp-ii, is a member of the class of compounds known as macrolides and analogues. Macrolides and analogues are organic compounds containing a lactone ring of at least twelve members. Pl is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pl can be found in cucumber, which makes pl a potential biomarker for the consumption of this food product. PL, P.L., Pl, or .pl may refer to: .</description>
  <synonyms>
    <synonym>Bulk-forming laxative</synonym>
    <synonym>C:formula capsules</synonym>
    <synonym>C:formula powder</synonym>
    <synonym>Cigno liquid spray</synonym>
    <synonym>Cigno-Tincture Dps 1x</synonym>
    <synonym>Ddah-PL-II</synonym>
    <synonym>DDH-PL-II</synonym>
    <synonym>Easy Lax Pwr 480mg</synonym>
    <synonym>Easy Lax Suger Free 100%</synonym>
    <synonym>Fiber 5 Capsules</synonym>
    <synonym>Fiber 5 Powder</synonym>
    <synonym>Fibre complex</synonym>
    <synonym>Fibre laxative (with sugar)</synonym>
    <synonym>Fibre laxative(orig.texture/w.sugar/unflav.)</synonym>
    <synonym>Fibre laxative(smooth text./sugar free/or.f)</synonym>
    <synonym>Fibremex PWR</synonym>
    <synonym>Laxucil 480mg/Gm</synonym>
    <synonym>Metamucil fibre therapy capsules</synonym>
    <synonym>Metamucil fibre therapy-orig.text.-unflav.</synonym>
    <synonym>Metamucil fibre therapy-SM.text.-orange FL.</synonym>
    <synonym>Metamucil fibre wafers - apple</synonym>
    <synonym>Metamucil fibre wafers - cinnamon</synonym>
    <synonym>Mithracin</synonym>
    <synonym>Mucillium</synonym>
    <synonym>Musilax</synonym>
    <synonym>Natural source original texture fibre laxative unflavoured</synonym>
    <synonym>Natural source smooth texture fibre laxative orange flavour</synonym>
    <synonym>Natural source smooth texture fibre laxative sugar free</synonym>
    <synonym>Naturfibr Dietetic Pwr 100%</synonym>
    <synonym>Novo-mucilax</synonym>
    <synonym>Novo-Mucilax Sugar Free Pwr 750mg/Gm</synonym>
    <synonym>Pekana - platinum metallicum</synonym>
    <synonym>Placenta</synonym>
    <synonym>Placentinum</synonym>
    <synonym>Plantago Liq 1x-C1000</synonym>
    <synonym>Plantago major</synonym>
    <synonym>Plantago Major 1dh - 30ch</synonym>
    <synonym>Plantago Major Liquid (S#153)</synonym>
    <synonym>Platanus</synonym>
    <synonym>Platanus orientalis</synonym>
    <synonym>Platenolide II, deoxyacetyl-xylohexopyranosyl.</synonym>
    <synonym>Platina</synonym>
    <synonym>Platina Gtte 5ch-15ch</synonym>
    <synonym>Platina muriatica</synonym>
    <synonym>Platinum Dps 3c-1000c</synonym>
    <synonym>Platinum metallicum</synonym>
    <synonym>Platinum Metallicum Liquid (S#1269)-Liq</synonym>
    <synonym>Platinum Metallicum-Injeel Liq (12d,30d,200d/1.1ml)</synonym>
    <synonym>Platinum muriaticum</synonym>
    <synonym>Plectranthus Fruticosus Liquid(S#1272)</synonym>
    <synonym>Plumbago littoralis</synonym>
    <synonym>Plumbago Littoralis Liquid (S#1273)-Liq</synonym>
    <synonym>Plumbum chromicum</synonym>
    <synonym>Plumbum Dps 4ch-30ch</synonym>
    <synonym>Plumbum Dps C6-C1000</synonym>
    <synonym>Plumbum metallicum</synonym>
    <synonym>Plumbum Metallicum 4-30ch</synonym>
    <synonym>Plumbum metallicum homaccord</synonym>
    <synonym>Plumbum Metallicum Liquid (S#134)</synonym>
    <synonym>Psyllium Cap 600mg</synonym>
    <synonym>Psyllium Husk Capsules 625mg</synonym>
    <synonym>Psyllium husk usp</synonym>
    <synonym>Psyllium Husks Pws 1000mg/Gm Usp</synonym>
    <synonym>Psyllium Powder 100%</synonym>
    <synonym>Psyllium Seed Husks 520mg Capsules</synonym>
    <synonym>Pyridoxal 5-phosphate</synonym>
    <synonym>Pyridoxal 5'-phosphate</synonym>
    <synonym>Pyridoxal phosphate</synonym>
    <synonym>Super CC herbal laxative formula</synonym>
    <synonym>Ultrabalance - herbulk</synonym>
  </synonyms>
  <chemical_formula>C28H46O10</chemical_formula>
  <average_molecular_weight>542.6588</average_molecular_weight>
  <monisotopic_moleculate_weight>542.309097692</monisotopic_moleculate_weight>
  <iupac_name>(11E,13E)-6-[(4-acetyl-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one</iupac_name>
  <traditional_iupac>(11E,13E)-6-[(4-acetyl-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one</traditional_iupac>
  <cas_registry_number>18378-89-7</cas_registry_number>
  <smiles>CCC1CC(C)C(O)\C=C\C=C\CC(C)OC(=O)CC(O)C(OC)C1OC1OC(C)CC(O)(C1O)C(C)=O</smiles>
  <inchi>InChI=1S/C28H46O10/c1-7-20-13-16(2)21(30)12-10-8-9-11-17(3)36-23(32)14-22(31)25(35-6)24(20)38-27-26(33)28(34,19(5)29)15-18(4)37-27/h8-10,12,16-18,20-22,24-27,30-31,33-34H,7,11,13-15H2,1-6H3/b9-8+,12-10+</inchi>
  <inchikey>IZFPDEQYDFAJRK-CDKJVOIVSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.</description>
    <direct_parent>Macrolides and analogues</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Phenylpropanoids and polyketides</super_class>
    <class>Macrolides and analogues</class>
    <sub_class/>
    <molecular_framework>Aliphatic heteromonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Acetals</alternative_parent>
      <alternative_parent>Alpha-hydroxy ketones</alternative_parent>
      <alternative_parent>Carboxylic acid esters</alternative_parent>
      <alternative_parent>Dialkyl ethers</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Lactones</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Oxanes</alternative_parent>
      <alternative_parent>Secondary alcohols</alternative_parent>
      <alternative_parent>Tertiary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Acetal</substituent>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic heteromonocyclic compound</substituent>
      <substituent>Alpha-hydroxy ketone</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Dialkyl ether</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Ketone</substituent>
      <substituent>Lactone</substituent>
      <substituent>Macrolide</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxane</substituent>
      <substituent>Secondary alcohol</substituent>
      <substituent>Tertiary alcohol</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.74</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.23</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.23e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>1.94</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>11.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-1.3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>(11E,13E)-6-[(4-acetyl-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>542.6588</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>542.309097692</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CCC1CC(C)C(O)\C=C\C=C\CC(C)OC(=O)CC(O)C(OC)C1OC1OC(C)CC(O)(C1O)C(C)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C28H46O10</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C28H46O10/c1-7-20-13-16(2)21(30)12-10-8-9-11-17(3)36-23(32)14-22(31)25(35-6)24(20)38-27-26(33)28(34,19(5)29)15-18(4)37-27/h8-10,12,16-18,20-22,24-27,30-31,33-34H,7,11,13-15H2,1-6H3/b9-8+,12-10+</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>IZFPDEQYDFAJRK-CDKJVOIVSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>151.98</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>141.07</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>58.08</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>9</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>55758</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>55759</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>55760</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>110985</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>110986</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>110987</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3601616</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3601617</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3601618</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3601619</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3601620</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3601621</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>18405</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
    <food>
      <name>Cucumber</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Cucumis sativus</name_scientific>
      <ncbi_taxonomy_id>3659</ncbi_taxonomy_id>
    </food>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
