1.0 2010-04-08 22:13:06 UTC 2019-11-26 03:14:54 UTC FDB017460 Pterosin N Isolated from Pteridium aquilinum (bracken fern). Pterosin N is found in green vegetables and root vegetables. 2-Hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1-indanone 2,3-Dihydro-2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-inden-1-one, 9CI C14H18O3 234.2909 234.125594442 2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one 2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3H-inden-1-one 54797-11-4 CC1=CC2=C(C(=O)C(C)(O)C2)C(C)=C1CCO InChI=1S/C14H18O3/c1-8-6-10-7-14(3,17)13(16)12(10)9(2)11(8)4-5-15/h6,15,17H,4-5,7H2,1-3H3 FQLXILLXEWJGFO-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 Acyloins Aryl alkyl ketones Hydrocarbon derivatives Organic oxides Primary alcohols Tertiary alcohols Acyloin Alcohol Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Hydrocarbon derivative Indanone Ketone Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Tertiary alcohol logp 1.10 ALOGPS logs -2.25 ALOGPS solubility 1.33e+00 g/l ALOGPS melting_point Mp 165-167° logp 1.95 ChemAxon pka_strongest_acidic 13.08 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one ChemAxon average_mass 234.2909 ChemAxon mono_mass 234.125594442 ChemAxon smiles CC1=CC2=C(C(=O)C(C)(O)C2)C(C)=C1CCO ChemAxon formula C14H18O3 ChemAxon inchi InChI=1S/C14H18O3/c1-8-6-10-7-14(3,17)13(16)12(10)9(2)11(8)4-5-15/h6,15,17H,4-5,7H2,1-3H3 ChemAxon inchikey FQLXILLXEWJGFO-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 67.58 ChemAxon polarizability 26.27 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13151 Specdb::CMs 45730 Specdb::CMs 133678 Specdb::CMs 141412 Specdb::MsMs 8513 Specdb::MsMs 8514 Specdb::MsMs 8515 Specdb::MsMs 15185 Specdb::MsMs 15186 Specdb::MsMs 15187 Specdb::MsMs 2396751 Specdb::MsMs 2396752 Specdb::MsMs 2396753 Specdb::MsMs 2542379 Specdb::MsMs 2542380 Specdb::MsMs 2542381 HMDB38218 #<Reference:0x000055ce33304b00> Green vegetables Unknown generic Root vegetables Unknown generic