<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4110</id>
  <title>T3D4056</title>
  <common-name>Debromoaplysiatoxin</common-name>
  <description>Debromoaplysiatoxin is an algal toxin found in blue-green algae. It is one of the causative toxins of a series of red alga (Gracilaria coronopifolia) poisonings in Hawaii, which broke out in succession in September of 1994.</description>
  <cas>52423-28-6</cas>
  <pubchem-id>440576</pubchem-id>
  <chemical-formula>C32H48O10</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>Debromoaplysiatoxin have the ability to evoke biological and biochemical responses in cells, and belong to the TPA (12-O-tetradecanoylphorbol 13-acetate) type tumor promoters. Debromoaplysiatoxin is a typical tumor promoter. Debromoaplysiatoxin inhibited the binding of [3H]PDBu or 125I-EGF to their cell receptors in MEM containing 2 mg/ml ovalbumin. Debromoaplysiatoxin also inhibited the binding of [3H]PDBu in MEM containing sera from eight mammalian species tested. (A15421)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>Not listed by IARC.</carcinogenicity>
  <use-source>Debromoaplysiatoxin is an algal toxin found in blue-green algae. It is one of the causative toxins of a series of red alga (Gracilaria coronopifolia) poisonings in Hawaii, which broke out in succession in September of 1994.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:59:28Z</created-at>
  <updated-at type="dateTime">2026-04-05T15:33:21Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C05148</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][C@](C)(O)[C@@]1([H])CC(=O)O[C@@]2([H])C[C@]3(O[C@]([H])([C@@]([H])(C)CC[C@]([H])(OC)C4=CC(O)=CC=C4)[C@@]2([H])C)O[C@@](O)(CC(=O)O1)[C@]([H])(C)CC3(C)C</moldb-smiles>
  <moldb-formula>C32H48O10</moldb-formula>
  <moldb-inchi>InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26-,29+,31-,32-/m0/s1</moldb-inchi>
  <moldb-inchikey>REAZZDPREXHWNV-HJUJCDCNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">592.7175</moldb-average-mass>
  <moldb-mono-mass type="decimal">592.324747756</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4509004</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>CHEM003016</chemdb-id>
  <dsstox-id>DTXSID80880084</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00075610</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>140.98</moldb-polar-surface-area>
  <moldb-refractivity>152.09050000000005</moldb-refractivity>
  <moldb-polarizability>63.29476938388667</moldb-polarizability>
  <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count>
  <moldb-acceptor-count>8</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>9.361696162316157</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.0342786881768538</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>3.41</moldb-alogps-logp>
  <moldb-alogps-logs>-4.81</moldb-alogps-logs>
  <moldb-alogps-solubility>9.11e-03 g/l</moldb-alogps-solubility>
</compound>
