1.0 2010-04-08 22:09:35 UTC 2019-11-26 03:04:49 UTC FDB011328 Gerberinol Constituent of Diospyros kaki (Japanese persimmon). Gerberinol is found in fruits. 3,3'-Methylenebis[4-hydroxy-5-methyl-2H-1-benzopyran-2-one], 9CI Gerberinol C21H16O6 364.3481 364.094688244 4-hydroxy-3-[(4-hydroxy-5-methyl-2-oxo-2H-chromen-3-yl)methyl]-5-methyl-2H-chromen-2-one 4-hydroxy-3-[(4-hydroxy-5-methyl-2-oxochromen-3-yl)methyl]-5-methylchromen-2-one 84153-78-6 CC1=C2C(O)=C(CC3=C(O)C4=C(C)C=CC=C4OC3=O)C(=O)OC2=CC=C1 InChI=1S/C21H16O6/c1-10-5-3-7-14-16(10)18(22)12(20(24)26-14)9-13-19(23)17-11(2)6-4-8-15(17)27-21(13)25/h3-8,22-23H,9H2,1-2H3 JUCUEMBIORWHSB-UHFFFAOYSA-N belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton. 4-hydroxycoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 4-hydroxycoumarin Aromatic heteropolycyclic compound Benzenoid Benzopyran Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 2.41 ALOGPS logs -4.15 ALOGPS solubility 2.58e-02 g/l ALOGPS melting_point Mp 267-269° logp -0.57 ChemAxon pka_strongest_acidic -12 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-hydroxy-3-[(4-hydroxy-5-methyl-2-oxo-2H-chromen-3-yl)methyl]-5-methyl-2H-chromen-2-one ChemAxon average_mass 364.3481 ChemAxon mono_mass 364.094688244 ChemAxon smiles CC1=C2C(O)=C(CC3=C(O)C4=C(C)C=CC=C4OC3=O)C(=O)OC2=CC=C1 ChemAxon formula C21H16O6 ChemAxon inchi InChI=1S/C21H16O6/c1-10-5-3-7-14-16(10)18(22)12(20(24)26-14)9-13-19(23)17-11(2)6-4-8-15(17)27-21(13)25/h3-8,22-23H,9H2,1-2H3 ChemAxon inchikey JUCUEMBIORWHSB-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 99.28 ChemAxon polarizability 36.36 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24219 Specdb::CMs 43218 Specdb::CMs 151063 Specdb::MsMs 61587 Specdb::MsMs 61588 Specdb::MsMs 61589 Specdb::MsMs 118143 Specdb::MsMs 118144 Specdb::MsMs 118145 Specdb::MsMs 2736530 Specdb::MsMs 2736531 Specdb::MsMs 2736532 Specdb::MsMs 2969271 Specdb::MsMs 2969272 Specdb::MsMs 2969273 Specdb::NmrOneD 119298 Specdb::NmrOneD 119299 Specdb::NmrOneD 119300 Specdb::NmrOneD 119301 Specdb::NmrOneD 119302 Specdb::NmrOneD 119303 Specdb::NmrOneD 119304 Specdb::NmrOneD 119305 Specdb::NmrOneD 119306 Specdb::NmrOneD 119307 Specdb::NmrOneD 119308 Specdb::NmrOneD 119309 Specdb::NmrOneD 119310 Specdb::NmrOneD 119311 Specdb::NmrOneD 119312 Specdb::NmrOneD 119313 Specdb::NmrOneD 119314 Specdb::NmrOneD 119315 Specdb::NmrOneD 119316 Specdb::NmrOneD 119317 HMDB33304 #<Reference:0x000055ce32097eb8> Fruits Unknown generic