1.0 2010-04-08 22:11:55 UTC 2019-11-26 03:11:49 UTC FDB015550 Morusin Constituent of the root bark of Morus alba (mulberry) and other Morus subspecies Morusin is found in fruits. 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI Mulberrochromene C25H24O6 420.4545 420.1572885 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-pyrano[2,3-h]chromen-4-one morusin 62596-29-6 CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=C(O)C=C(O)C=C1 InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3 XFFOMNJIDRDDLQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 3-position. 3-prenylated flavones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranoflavonoids Pyranones and derivatives Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 3-prenylated flavone 4'-hydroxyflavonoid 5-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranochromene Pyranoflavonoid Pyranone Resorcinol Vinylogous acid Flavones and Flavonols Flavones and Flavonols extended flavonoid trihydroxyflavone logp 4.88 ALOGPS logs -4.95 ALOGPS solubility 4.72e-03 g/l ALOGPS melting_point Mp 214-216° logp 5.22 ChemAxon pka_strongest_acidic 8.05 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-pyrano[2,3-h]chromen-4-one ChemAxon average_mass 420.4545 ChemAxon mono_mass 420.1572885 ChemAxon smiles CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=C(O)C=C(O)C=C1 ChemAxon formula C25H24O6 ChemAxon inchi InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3 ChemAxon inchikey XFFOMNJIDRDDLQ-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 120.87 ChemAxon polarizability 45.47 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23553 Specdb::CMs 44941 Specdb::CMs 137990 Specdb::CMs 145724 Specdb::MsMs 78366 Specdb::MsMs 78367 Specdb::MsMs 78368 Specdb::MsMs 138708 Specdb::MsMs 138709 Specdb::MsMs 138710 Specdb::MsMs 2781340 Specdb::MsMs 2781341 Specdb::MsMs 2781342 Specdb::MsMs 2924953 Specdb::MsMs 2924954 Specdb::MsMs 2924955 HMDB36631 #<Reference:0x000055ce31f1bf30> #<Reference:0x000055ce31f1bd78> #<Reference:0x000055ce31f1bbc0> Fruits Unknown generic