<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4441</id>
  <title>T3D4387</title>
  <common-name>Goniodomin A</common-name>
  <description>Goniodomin A (GDA) is an antifungal polyether macrolide isolated from the dinoflagellate Goniodoma pseudogoniaulax. It affects cytoskeletal reorganization.  (A3462).</description>
  <cas>112923-40-7</cas>
  <pubchem-id>56928092</pubchem-id>
  <chemical-formula>C43H60O12</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>Goniodomin A (GDA) is an antifungal polyether macrolide isolated from the dinoflagellate Goniodoma pseudogoniaulax.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:50:50Z</created-at>
  <updated-at type="dateTime">2026-05-21T00:20:39Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C16899</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@]([H])(OC(=O)[C@]2([H])C[C@@]([H])([C@@]([H])(O)OC2=C)[C@]2([H])OC3(CC(=C)C[C@]([H])(O3)[C@]3([H])CC=C[C@@]([H])(O3)[C@]3([H])CC[C@]([H])(O3)C(=C)[C@@]([H])(O)[C@@]([H])(O)C1)C[C@]([H])(C)C2=C)[C@@]1(O)OCC[C@@]([H])(C)[C@]1([H])C</moldb-smiles>
  <moldb-formula>C43H60O12</moldb-formula>
  <moldb-inchi>InChI=1S/C43H60O12/c1-22-18-36-34-12-9-11-33(52-34)35-15-14-32(51-35)26(5)38(45)31(44)10-8-13-37(43(48)27(6)23(2)16-17-49-43)53-40(46)29-19-30(41(47)50-28(29)7)39-25(4)24(3)21-42(20-22,54-36)55-39/h8-9,11,13,23-24,27,29-39,41,44-45,47-48H,1,4-5,7,10,12,14-21H2,2-3,6H3/b13-8-/t23-,24+,27+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38-,39-,41+,42?,43+/m1/s1</moldb-inchi>
  <moldb-inchikey>CUZZOTHBRFDPNJ-VEEMWHMWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">768.9293</moldb-average-mass>
  <moldb-mono-mass type="decimal">768.408477384</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>30790951</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>CHEM003347</chemdb-id>
  <dsstox-id>DTXSID80880089</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00075611</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>162.6</moldb-polar-surface-area>
  <moldb-refractivity>203.8674</moldb-refractivity>
  <moldb-polarizability>82.03742600921194</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>11</moldb-acceptor-count>
  <moldb-donor-count>4</moldb-donor-count>
  <moldb-pka-strongest-acidic>10.826601566181916</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.2014993951384083</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>7</moldb-number-of-rings>
  <moldb-alogps-logp>2.75</moldb-alogps-logp>
  <moldb-alogps-logs>-3.88</moldb-alogps-logs>
  <moldb-alogps-solubility>1.00e-01 g/l</moldb-alogps-solubility>
</compound>
