<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350965</id>
  <title nil="true"/>
  <common-name>5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5,9-dimethyl-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione</common-name>
  <description>5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5,9-dimethyl-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione is a chemical compound with the formula C30H44N2O5. With an average molecular weight of 512.70 g/mol, 5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5,9-dimethyl-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione is a heavy molecule.</description>
  <cas>53003-82-0</cas>
  <pubchem-id>3040838</pubchem-id>
  <chemical-formula>C30H44N2O5</chemical-formula>
  <weight>512.7</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T16:22:10Z</created-at>
  <updated-at type="dateTime">2026-08-31T16:22:10Z</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)C1=CC23CCC4C(C2CC1C5C3C(=O)OC5=O)(CCCC4(C)C(=O)N6CCN(CC6)CCO)C</moldb-smiles>
  <moldb-formula>C30H44N2O5</moldb-formula>
  <moldb-inchi>InChI=1S/C30H44N2O5/c1-18(2)20-17-30-9-6-21-28(3,22(30)16-19(20)23-24(30)26(35)37-25(23)34)7-5-8-29(21,4)27(36)32-12-10-31(11-13-32)14-15-33/h17-19,21-24,33H,5-16H2,1-4H3</moldb-inchi>
  <moldb-inchikey>XJQVMDWQJUSDTN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">512.3250225</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM346858</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5,9-dimethyl-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-14,16-dione</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Diterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0301269</sync-id>
  <structure-inchikey>XJQVMDWQJUSDTN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000100002080000000020000000000000000000004000300800000001000100000202000000008000000000000000000000000010000420200000000000000000004003000020000000000082080000000000000000000000000008000000001000000000000000000004000000002010400000000000000000010080000004800000000000000000400400020000400000000400000000000002010880000000400000000000008800000000000000400400004a000400000000000000000000104000800010000800080000000000000000000000000000000010000200000000000000040000000000400000000000000000000804000080000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAlAAAAKgAAAIABBgBgAAAAAQMGAGAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:55Z</structure-indexed-at>
</compound>
