36097 <common-name>Androstanedione</common-name> <description>Androstanedione is an organic compound with the formula C19H28O2 and an average molecular weight of 288.42 g/mol. Androstanedione belongs to the androstane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is further classified as part of the lipids and lipid-like molecules superclass. Regarding its biological activity, two protein targets have been recorded for this compound: Steroid Delta-isomerase (ksi) and 17-beta-hydroxysteroid dehydrogenase type 1 (HSD17B1), for which it acts as an inhibitor.</description> <cas>846-46-8</cas> <pubchem-id>222865</pubchem-id> <chemical-formula>C19H28O2</chemical-formula> <weight nil="true"/> <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">2016-05-26T05:24:05Z</created-at> <updated-at type="dateTime">2026-05-14T17:09:03Z</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>DB01561</drugbank-id> <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@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C</moldb-smiles> <moldb-formula>C19H28O2</moldb-formula> <moldb-inchi>InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1</moldb-inchi> <moldb-inchikey>RAJWOBJTTGJROA-WZNAKSSCSA-N</moldb-inchikey> <moldb-average-mass type="decimal">288.4244</moldb-average-mass> <moldb-mono-mass type="decimal">288.20893014</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.97</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>388422</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 nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM034992</chemdb-id> <dsstox-id>DTXSID80233576</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038595</susdat-id> <iupac>(3aS,3bR,5aS,9aS,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-dione</iupac> <moldb-polar-surface-area>34.14</moldb-polar-surface-area> <moldb-refractivity>82.7808</moldb-refractivity> <moldb-polarizability>33.826012044347785</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>19.776207883092308</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.108868634299542</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>3.40</moldb-alogps-logp> <moldb-alogps-logs>-4.59</moldb-alogps-logs> <moldb-alogps-solubility>7.39e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Androstane steroids</subklass> <paper-count type="integer">16599</paper-count> <sync-id>CED0002466</sync-id> <structure-inchikey>RAJWOBJTTGJROA-WZNAKSSCSA-N</structure-inchikey> <structure-fingerprint>10000002000000418000000004000400000800000000000000000004101000000000000000000200000000000000000000000000000000000000008000000000120c0000000000000000000000200000020000000000000000000000000020000000000000000000000000000000000000000020000000000000000000000100000000048000000010000000000000000200000000000000000000000000020000000000004000000000000080000000000000000000000040000000000000000000000000000000000000000001000000000000000000000200000000000000000000000000001000000080000000000000000000000080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAGAAAAIABBiA0AAAAAgEEBgBgAAAA AgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIGICQAAAABBAYAYAAAAAEDBgBg AAAAAgIGAGAAAAACAgYgNAAAAAEBBAYgNAAAAAEBBAYAYAAAAAICBgBgAAAA AgIGIDQAAAABAQQGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIGAGAAAAACAgYA YAAAAAICBiAkAAAAAgQGAGAAAAABAwsAAQABAgACAwADBAgCAwUABQYABQcA BwgACAkACQoACgsACwwADA0ADQ4ADg8ADxAIAg8RABESABITABMUAAUAABMJ AAoAABMNAEIEAAAABQEABQMCBgcICQoABQYLDA0TCQoGDg8REhMNFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:10:53Z</structure-indexed-at> </compound>