1.0 2010-04-08 22:10:08 UTC 2019-11-26 03:06:38 UTC FDB012361 Kuwanol C Constituent of Morus alba (white mulberry). Kuwanol C is found in fruits. C25H26O6 422.4703 422.172938564 2-(2,4-dihydroxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-one kuwanol C 123702-94-3 CC(C)=CCCC1(C)OC2=CC3=C(C(=O)CC(O3)C3=C(O)C=C(O)C=C3)C(O)=C2C=C1 InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-21(31-25)13-22-23(24(17)29)19(28)12-20(30-22)16-7-6-15(26)11-18(16)27/h5-8,10-11,13,20,26-27,29H,4,9,12H2,1-3H3 FBVQKNJIYRJQBU-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoflavonoids. Pyranoflavonoids are compounds containing a pyran ring fused to a 2-phenyl-1,4-benzopyran skeleton. Pyranoflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Pyranoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavan Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyranochromene Pyranoflavonoid Resorcinol Vinylogous acid Flavanones logp 4.21 ALOGPS logs -4.99 ALOGPS solubility 4.37e-03 g/l ALOGPS logp 5.47 ChemAxon pka_strongest_acidic 8.9 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-(2,4-dihydroxyphenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-en-1-yl)-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-one ChemAxon average_mass 422.4703 ChemAxon mono_mass 422.172938564 ChemAxon smiles CC(C)=CCCC1(C)OC2=CC3=C(C(=O)CC(O3)C3=C(O)C=C(O)C=C3)C(O)=C2C=C1 ChemAxon formula C25H26O6 ChemAxon inchi InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-21(31-25)13-22-23(24(17)29)19(28)12-20(30-22)16-7-6-15(26)11-18(16)27/h5-8,10-11,13,20,26-27,29H,4,9,12H2,1-3H3 ChemAxon inchikey FBVQKNJIYRJQBU-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 119.41 ChemAxon polarizability 46.35 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25085 Specdb::CMs 43706 Specdb::CMs 163265 Specdb::MsMs 8339 Specdb::MsMs 8340 Specdb::MsMs 8341 Specdb::MsMs 15011 Specdb::MsMs 15012 Specdb::MsMs 15013 Specdb::MsMs 2798312 Specdb::MsMs 2798313 Specdb::MsMs 2798314 Specdb::MsMs 2883221 Specdb::MsMs 2883222 Specdb::MsMs 2883223 HMDB34098 #<Reference:0x000055ce32252ac8> Fruits Unknown generic