1.0 2010-04-08 22:15:34 UTC 2019-11-26 03:20:06 UTC FDB021243 Heteroartonin A Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroartonin A is found in jackfruit and fruits. 2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 2',5,5',7-Tetrahydroxy-4'-methoxy-3,3'-diprenylflavone Heteroartonin A C26H28O7 452.4963 452.18350325 2-[2,5-dihydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one heteroartonin A 170894-23-2 COC1=C(O)C=C(C(O)=C1CC=C(C)C)C1=C(CC=C(C)C)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C26H28O7/c1-13(2)6-8-16-23(30)18(12-20(29)26(16)32-5)25-17(9-7-14(3)4)24(31)22-19(28)10-15(27)11-21(22)33-25/h6-7,10-12,27-30H,8-9H2,1-5H3 ONBLHZQNAGITBB-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 3'-hydroxyflavonoids 3-prenylated flavones 4'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Hydroquinones Methoxybenzenes Methoxyphenols Organic oxides Oxacyclic compounds Phenoxy compounds Prenylated hydroquinones Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3'-prenylated flavone 3-prenylated flavone 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Heteroaromatic compound Hydrocarbon derivative Hydroquinone Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Prenylbenzoquinol Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 4.61 ALOGPS logs -4.94 ALOGPS solubility 5.19e-03 g/l ALOGPS melting_point Mp 206-208° logp 5.58 ChemAxon pka_strongest_acidic 6.6 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-[2,5-dihydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one ChemAxon average_mass 452.4963 ChemAxon mono_mass 452.18350325 ChemAxon smiles COC1=C(O)C=C(C(O)=C1CC=C(C)C)C1=C(CC=C(C)C)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C26H28O7 ChemAxon inchi InChI=1S/C26H28O7/c1-13(2)6-8-16-23(30)18(12-20(29)26(16)32-5)25-17(9-7-14(3)4)24(31)22-19(28)10-15(27)11-21(22)33-25/h6-7,10-12,27-30H,8-9H2,1-5H3 ChemAxon inchikey ONBLHZQNAGITBB-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 129.16 ChemAxon polarizability 49 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22052 Specdb::CMs 47257 Specdb::CMs 133577 Specdb::CMs 141311 Specdb::MsMs 314953 Specdb::MsMs 314954 Specdb::MsMs 314955 Specdb::MsMs 360817 Specdb::MsMs 360818 Specdb::MsMs 360819 Specdb::MsMs 2691203 Specdb::MsMs 2691204 Specdb::MsMs 2691205 Specdb::MsMs 2990846 Specdb::MsMs 2990847 Specdb::MsMs 2990848 HMDB41323 #<Reference:0x000055ce328eea30> Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489