1.0 2010-04-08 22:05:33 UTC 2019-11-26 02:58:02 UTC FDB002845 (S)-Rutaretin Isolated from seeds of Apium graveolens and Ruta graveolens (rue). (S)-Rutaretin is found in green vegetables. C14H14O5 262.258 262.084123558 (2S)-9-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one (2S)-9-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H-furo[3,2-g]chromen-7-one CC(C)(O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2 InChI=1S/C14H14O5/c1-14(2,17)9-6-8-5-7-3-4-10(15)19-12(7)11(16)13(8)18-9/h3-5,9,16-17H,6H2,1-2H3 FVFQELHSZVFPDZ-UHFFFAOYSA-N belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Psoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Coumarans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Tertiary alcohols 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumaran Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Psoralen Pyran Pyranone Tertiary alcohol melting_point Mp 198° logp 2.08 ChemAxon pka_strongest_acidic 10.74 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (2S)-9-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 262.258 ChemAxon mono_mass 262.084123558 ChemAxon smiles CC(C)(O)C1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2 ChemAxon formula C14H14O5 ChemAxon inchi InChI=1S/C14H14O5/c1-14(2,17)9-6-8-5-7-3-4-10(15)19-12(7)11(16)13(8)18-9/h3-5,9,16-17H,6H2,1-2H3 ChemAxon inchikey FVFQELHSZVFPDZ-UHFFFAOYSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 68.32 ChemAxon polarizability 26.53 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB30882 #<Reference:0x000055ce31c90090> Green vegetables Unknown generic