1.0 2010-04-08 22:10:56 UTC 2019-11-26 03:09:08 UTC FDB013832 Artonin E Constituent of Artocarpus communis (breadfruit). Artonin E is found in breadfruit and fruits. 5'-Hydroxymorusin KB 3 C25H24O7 436.4539 436.152203122 5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-h]chromen-4-one artonin E 129683-93-8 CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=CC(O)=C(O)C=C1O InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3 HDHRTQZSBFUBMJ-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 2,2-dimethyl-1-benzopyrans 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroxyquinols and derivatives Organic oxides Oxacyclic compounds Polyols Pyranochromenes Pyranoflavonoids Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 3'-hydroxyflavonoid 3-prenylated flavone 4'-hydroxyflavonoid 5-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Hydroxyquinol derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Pyran Pyranochromene Pyranoflavonoid Pyranone Vinylogous acid Flavones and Flavonols logp 4.58 ALOGPS logs -4.65 ALOGPS solubility 9.72e-03 g/l ALOGPS melting_point Mp 244-248° logp 4.91 ChemAxon pka_strongest_acidic 8.31 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-pyrano[2,3-h]chromen-4-one ChemAxon average_mass 436.4539 ChemAxon mono_mass 436.152203122 ChemAxon smiles CC(C)=CCC1=C(OC2=C(C(O)=CC3=C2C=CC(C)(C)O3)C1=O)C1=CC(O)=C(O)C=C1O ChemAxon formula C25H24O7 ChemAxon inchi InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3 ChemAxon inchikey HDHRTQZSBFUBMJ-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 122.85 ChemAxon polarizability 46.36 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21843 Specdb::CMs 44240 Specdb::CMs 157778 Specdb::MsMs 76695 Specdb::MsMs 76696 Specdb::MsMs 76697 Specdb::MsMs 136596 Specdb::MsMs 136597 Specdb::MsMs 136598 Specdb::MsMs 2438887 Specdb::MsMs 2438888 Specdb::MsMs 2438889 Specdb::MsMs 2523756 Specdb::MsMs 2523757 Specdb::MsMs 2523758 HMDB35186 #<Reference:0x000055ce32fa4a00> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic