1.0 2010-04-08 22:10:16 UTC 2025-11-18 23:38:12 UTC FDB012604 Nodakenetin Constituent of Angelica subspecies Nodakenetin is found in wild celery. (-)-Marmesin (R)-Marmesin Nodakenetin Nodakenitin Prangeferol C14H14O4 246.2586 246.089208936 2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one marmesin 13849-08-6 CC(C)(O)C1CC2=CC3=C(OC(=O)C=C3)C=C2O1 InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3 FWYSBEAFFPBAQU-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 Alkyl aryl ethers Benzenoids Coumarans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Tertiary alcohols 1-benzopyran 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 Psoralen Pyran Pyranone Tertiary alcohol a coumarin psoralens logp 1.98 ALOGPS logs -2.82 ALOGPS solubility 3.74e-01 g/l ALOGPS melting_point Mp 186.5° logp 1.73 ChemAxon pka_strongest_acidic 14.3 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 246.2586 ChemAxon mono_mass 246.089208936 ChemAxon smiles CC(C)(O)C1CC2=CC3=C(OC(=O)C=C3)C=C2O1 ChemAxon formula C14H14O4 ChemAxon inchi InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3 ChemAxon inchikey FWYSBEAFFPBAQU-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 66.34 ChemAxon polarizability 26.02 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9759 Specdb::CMs 42162 Specdb::CMs 123636 Specdb::CMs 131375 Specdb::CMs 139109 Specdb::CMs 950823 Specdb::MsMs 77613 Specdb::MsMs 77614 Specdb::MsMs 77615 Specdb::MsMs 137781 Specdb::MsMs 137782 Specdb::MsMs 137783 Specdb::MsMs 3040039 Specdb::MsMs 3040040 Specdb::MsMs 3040041 Specdb::MsMs 3100956 Specdb::MsMs 3100957 Specdb::MsMs 3100958 HMDB30786 #<Reference:0x000055ce324c6688> Wild celery Type 1 specific Apium graveolens 4045