1.0 2010-04-08 22:11:53 UTC 2019-11-26 03:11:45 UTC FDB015523 (S)-Pterosin P Isolated from Pteridium aquilinum (bracken fern). (S)-Pterosin P is found in green vegetables and root vegetables. 2-Butenylidenetriphenyl-(e)-orane Phosphorane, 2-butenylidenetriphenyl-, (e)- C14H18O3 234.2909 234.125594442 6-(2-hydroxyethyl)-5-(hydroxymethyl)-2,7-dimethyl-2,3-dihydro-1H-inden-1-one 6-(2-hydroxyethyl)-5-(hydroxymethyl)-2,7-dimethyl-2,3-dihydroinden-1-one 56374-22-2 CC1CC2=C(C1=O)C(C)=C(CCO)C(CO)=C2 InChI=1S/C14H18O3/c1-8-5-10-6-11(7-16)12(3-4-15)9(2)13(10)14(8)17/h6,8,15-16H,3-5,7H2,1-2H3 QDZJDGJEGHSXFF-UHFFFAOYSA-N belongs to the class of organic compounds known as indanones. Indanones are compounds containing an indane ring bearing a ketone group. Indanones Organic compounds Benzenoids Indanes Indanones Aromatic homopolycyclic compounds Aromatic alcohols Aryl alkyl ketones Hydrocarbon derivatives Organic oxides Primary alcohols Alcohol Aromatic alcohol Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Hydrocarbon derivative Indanone Ketone Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol logp 1.02 ALOGPS logs -2.77 ALOGPS solubility 3.94e-01 g/l ALOGPS melting_point Mp 115-117° logp 1.65 ChemAxon pka_strongest_acidic 14.85 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 6-(2-hydroxyethyl)-5-(hydroxymethyl)-2,7-dimethyl-2,3-dihydro-1H-inden-1-one ChemAxon average_mass 234.2909 ChemAxon mono_mass 234.125594442 ChemAxon smiles CC1CC2=C(C1=O)C(C)=C(CCO)C(CO)=C2 ChemAxon formula C14H18O3 ChemAxon inchi InChI=1S/C14H18O3/c1-8-5-10-6-11(7-16)12(3-4-15)9(2)13(10)14(8)17/h6,8,15-16H,3-5,7H2,1-2H3 ChemAxon inchikey QDZJDGJEGHSXFF-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 67.73 ChemAxon polarizability 26.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11719 Specdb::CMs 44928 Specdb::CMs 175004 Specdb::MsMs 74601 Specdb::MsMs 74602 Specdb::MsMs 74603 Specdb::MsMs 134028 Specdb::MsMs 134029 Specdb::MsMs 134030 Specdb::MsMs 2289936 Specdb::MsMs 2289937 Specdb::MsMs 2289938 Specdb::MsMs 2649249 Specdb::MsMs 2649250 Specdb::MsMs 2649251 HMDB36607 #<Reference:0x000055ce3216de78> Green vegetables Unknown generic Root vegetables Unknown generic