1.0 2010-04-08 22:11:53 UTC 2019-11-26 03:11:45 UTC FDB015520 (R)-Pterosin D Isolated from Pteridium aquilinum (bracken fern). (R)-Pterosin D is found in green vegetables and root vegetables. (3S)-Pterosin D C15H20O3 248.3175 248.141244506 3-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-2,3-dihydro-1H-inden-1-one 3-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one 34169-70-5 CC1=C(CCO)C(C)=C2C(=C1)C(O)C(C)(C)C2=O InChI=1S/C15H20O3/c1-8-7-11-12(9(2)10(8)5-6-16)14(18)15(3,4)13(11)17/h7,13,16-17H,5-6H2,1-4H3 FITSCHPIOGIYJY-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 Aryl alkyl ketones Hydrocarbon derivatives Organic oxides Primary alcohols Secondary alcohols Alcohol Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Hydrocarbon derivative Indanone Ketone Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol logp 1.90 ALOGPS logs -2.42 ALOGPS solubility 9.49e-01 g/l ALOGPS melting_point Mp 190-192° logp 2.41 ChemAxon pka_strongest_acidic 13.72 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 3-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-2,3-dihydro-1H-inden-1-one ChemAxon average_mass 248.3175 ChemAxon mono_mass 248.141244506 ChemAxon smiles CC1=C(CCO)C(C)=C2C(=C1)C(O)C(C)(C)C2=O ChemAxon formula C15H20O3 ChemAxon inchi InChI=1S/C15H20O3/c1-8-7-11-12(9(2)10(8)5-6-16)14(18)15(3,4)13(11)17/h7,13,16-17H,5-6H2,1-4H3 ChemAxon inchikey FITSCHPIOGIYJY-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 71.82 ChemAxon polarizability 28.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20867 Specdb::CMs 44263 Specdb::CMs 156342 Specdb::MsMs 8744 Specdb::MsMs 8745 Specdb::MsMs 8746 Specdb::MsMs 15416 Specdb::MsMs 15417 Specdb::MsMs 15418 Specdb::MsMs 2748160 Specdb::MsMs 2748161 Specdb::MsMs 2748162 Specdb::MsMs 2933781 Specdb::MsMs 2933782 Specdb::MsMs 2933783 HMDB35223 #<Reference:0x000055ce31d10cb8> Green vegetables Unknown generic Root vegetables Unknown generic