27339 <common-name>1-S-cis-Calamenene</common-name> <description nil="true"/> <cas>483-77-2</cas> <pubchem-id>6429077</pubchem-id> <chemical-formula>C15H22</chemical-formula> <weight>202.33</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">2016-05-25T22:52:18Z</created-at> <updated-at type="dateTime">2026-04-17T17:18:52Z</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)[C@@H]1CC[C@H](C)C2=CC=C(C)C=C12</moldb-smiles> <moldb-formula>C15H22</moldb-formula> <moldb-inchi>InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1</moldb-inchi> <moldb-inchikey>PGTJIOWQJWHTJJ-STQMWFEESA-N</moldb-inchikey> <moldb-average-mass type="decimal">202.341</moldb-average-mass> <moldb-mono-mass type="decimal">202.172150708</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>CHEM026234</chemdb-id> <dsstox-id>DTXSID40880702</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00095902</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>66.8282</moldb-refractivity> <moldb-polarizability>25.711520611334926</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>5.60</moldb-alogps-logp> <moldb-alogps-logs>-6.11</moldb-alogps-logs> <moldb-alogps-solubility>1.57e-04 g/l</moldb-alogps-solubility> </compound>