33006 <common-name>Longistylin C</common-name> <description nil="true"/> <cas>64125-60-6</cas> <pubchem-id>131752398</pubchem-id> <chemical-formula>C20H22O</chemical-formula> <weight>278.4</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">2016-05-26T03:00:06Z</created-at> <updated-at type="dateTime">2026-08-20T05:43:00Z</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>COC1=C(CC=C(C)C)C=CC(\C=C/C2=CC=CC=C2)=C1</moldb-smiles> <moldb-formula>C20H22O</moldb-formula> <moldb-inchi>InChI=1S/C20H22O/c1-16(2)9-13-19-14-12-18(15-20(19)21-3)11-10-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3/b11-10-</moldb-inchi> <moldb-inchikey>HPQIYBHUJSJOMV-KHPPLWFESA-N</moldb-inchikey> <moldb-average-mass type="decimal">278.3881</moldb-average-mass> <moldb-mono-mass type="decimal">278.167065326</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.1</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>CHEM031901</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00097170</susdat-id> <iupac>2-methoxy-1-(3-methylbut-2-enyl)-4-[(Z)-2-phenylethenyl]benzene</iupac> <moldb-polar-surface-area>9.23</moldb-polar-surface-area> <moldb-refractivity>92.2188</moldb-refractivity> <moldb-polarizability>33.51001130971582</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.837712002379985</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>6.33</moldb-alogps-logp> <moldb-alogps-logs>-5.76</moldb-alogps-logs> <moldb-alogps-solubility>4.79e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Stilbenes</klass> <subklass nil="true"/> </compound>