29407 <common-name>Harmol</common-name> <description>Harmol belongs to the harmala alkaloids, a class of alkaloids and derivatives within the organic compounds. It has the chemical formula C12H10N2O and an average molecular weight of 198.22 g/mol.</description> <cas>487-03-6</cas> <pubchem-id nil="true"/> <chemical-formula>C12H10N2O</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">2016-05-26T00:21:47Z</created-at> <updated-at type="dateTime">2026-04-04T19:17:35Z</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>CC1=C2NC3=C(C=CC(O)=C3)C2=CC=N1</moldb-smiles> <moldb-formula>C12H10N2O</moldb-formula> <moldb-inchi>InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3</moldb-inchi> <moldb-inchikey>SATMZMMKDDTOSQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.2206</moldb-average-mass> <moldb-mono-mass type="decimal">198.079312952</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM028302</chemdb-id> <dsstox-id>DTXSID10876697</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00042838</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>48.91</moldb-polar-surface-area> <moldb-refractivity>57.887699999999995</moldb-refractivity> <moldb-polarizability>21.33972583914516</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>9.396424960267632</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>6.160459989370712</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>2.07</moldb-alogps-logp> <moldb-alogps-logs>-3.06</moldb-alogps-logs> <moldb-alogps-solubility>1.72e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Alkaloids and derivatives</superklass> <klass>Harmala alkaloids</klass> <subklass nil="true"/> <paper-count type="integer">495</paper-count> <sync-id>CED0011143</sync-id> <structure-inchikey>SATMZMMKDDTOSQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000100000000000000000000000001000000000000000000000000000000020000002400000000000000000000000000000000000000000000000000000000000000000000000000000000800000000040000000001000010000000000000000100000000000000000000000000000000000000000000040000000000000200000000000000000000000000000000000000000000000004000000000040000080000000000000000080000000000000000002000000000000000002001000000004000000000000000002004004200000000000000000000400000002040000000000000000000000800000000008000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMEB0A4AAAAAwEDBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMECABoAAAAAwEBBkBoAAAAAwMBBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEHQCgAAAADAwsAAQABAmgMAgNoDAMEaAwEBWgMBQZo DAYHaAwHCGgMCAkgCApoDAULaAwLDGgMDA1oDA0OaAwOAWgMCwJoDAoEaAxC AwAAAAYBDg0MCwIFAwILBQQGBgcICgQFFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:10:16Z</structure-indexed-at> </compound>