1.0 2010-04-08 22:11:53 UTC 2019-11-26 03:11:45 UTC FDB015517 (S)-Pterosin K Constituent of the leaves of Pteridium aquilinum (bracken fern). (S)-Pterosin K is found in green vegetables and root vegetables. Pterosin K C15H19ClO2 266.763 266.107357559 6-(2-chloroethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one 6-(2-chloroethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one 41411-03-4 CC1=CC2=C(C(=O)C(C)(CO)C2)C(C)=C1CCCl InChI=1S/C15H19ClO2/c1-9-6-11-7-15(3,8-17)14(18)13(11)10(2)12(9)4-5-16/h6,17H,4-5,7-8H2,1-3H3 PIZARWYEACWLJN-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 Alkyl chlorides Aryl alkyl ketones Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols Alcohol Alkyl chloride Alkyl halide Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Hydrocarbon derivative Indanone Ketone Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Primary alcohol logp 2.88 ALOGPS logs -4.26 ALOGPS solubility 1.47e-02 g/l ALOGPS melting_point Mp 85-87° logp 3.56 ChemAxon pka_strongest_acidic 14.94 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 6-(2-chloroethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one ChemAxon average_mass 266.763 ChemAxon mono_mass 266.107357559 ChemAxon smiles CC1=CC2=C(C(=O)C(C)(CO)C2)C(C)=C1CCCl ChemAxon formula C15H19ClO2 ChemAxon inchi InChI=1S/C15H19ClO2/c1-9-6-11-7-15(3,8-17)14(18)13(11)10(2)12(9)4-5-16/h6,17H,4-5,7-8H2,1-3H3 ChemAxon inchikey PIZARWYEACWLJN-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 75.28 ChemAxon polarizability 29.49 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18337 Specdb::CMs 44924 Specdb::CMs 131222 Specdb::CMs 138956 Specdb::MsMs 7442 Specdb::MsMs 7443 Specdb::MsMs 7444 Specdb::MsMs 8447 Specdb::MsMs 8448 Specdb::MsMs 8449 Specdb::MsMs 14114 Specdb::MsMs 14115 Specdb::MsMs 14116 Specdb::MsMs 15119 Specdb::MsMs 15120 Specdb::MsMs 15121 Specdb::MsMs 2466021 Specdb::MsMs 2466022 Specdb::MsMs 2466023 Specdb::MsMs 2495627 Specdb::MsMs 2495628 Specdb::MsMs 2495629 HMDB36602 #<Reference:0x000055ce32830e40> Green vegetables Unknown generic Root vegetables Unknown generic