1.0 2010-04-08 22:13:46 UTC 2019-11-26 03:16:17 UTC FDB018530 Kinocoumarin Constituent of Citrus medica (citron). Kinocoumarin is found in citrus. C24H28O4 380.4767 380.198759384 5-hydroxy-8,8-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-2H,8H-pyrano[3,2-g]chromen-2-one 5-hydroxy-8,8-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-2-one 119139-65-0 CC(C)(C=C)C1=C2OC(=O)C=CC2=C(O)C2=C1OC(C)(C)C(=C2)C(C)(C)C=C InChI=1S/C24H28O4/c1-9-22(3,4)16-13-15-19(26)14-11-12-17(25)27-20(14)18(23(5,6)10-2)21(15)28-24(16,7)8/h9-13,26H,1-2H2,3-8H3 OPQNNWVPHFUNEH-UHFFFAOYSA-N belongs to the class of organic compounds known as linear pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. Linear pyranocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives 1-benzopyran 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Ether Heteroaromatic compound Hydrocarbon derivative Lactone Linear pyranocoumarin Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone coumarins organic heterotricyclic compound phenols logp 5.76 ALOGPS logs -5.65 ALOGPS solubility 8.47e-04 g/l ALOGPS logp 5.48 ChemAxon pka_strongest_acidic 7.4 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 5-hydroxy-8,8-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-2H,8H-pyrano[3,2-g]chromen-2-one ChemAxon average_mass 380.4767 ChemAxon mono_mass 380.198759384 ChemAxon smiles CC(C)(C=C)C1=C2OC(=O)C=CC2=C(O)C2=C1OC(C)(C)C(=C2)C(C)(C)C=C ChemAxon formula C24H28O4 ChemAxon inchi InChI=1S/C24H28O4/c1-9-22(3,4)16-13-15-19(26)14-11-12-17(25)27-20(14)18(23(5,6)10-2)21(15)28-24(16,7)8/h9-13,26H,1-2H2,3-8H3 ChemAxon inchikey OPQNNWVPHFUNEH-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 113.79 ChemAxon polarizability 42.63 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20903 Specdb::CMs 46219 Specdb::CMs 152254 Specdb::MsMs 96408 Specdb::MsMs 96409 Specdb::MsMs 96410 Specdb::MsMs 160884 Specdb::MsMs 160885 Specdb::MsMs 160886 Specdb::MsMs 2395569 Specdb::MsMs 2395570 Specdb::MsMs 2395571 Specdb::MsMs 2539355 Specdb::MsMs 2539356 Specdb::MsMs 2539357 HMDB39033 #<Reference:0x000055ce3227ba90> Citrus Unknown generic