1.0 2010-04-08 22:15:31 UTC 2019-11-26 03:19:59 UTC FDB021164 Heteroflavanone C Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroflavanone C is found in jackfruit and fruits. 5,7-Dihydroxy-2',4',6'-trimethoxy-8-prenylflavanone Heteroflavanone C C23H26O7 414.4483 414.167853186 5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one heteroflavanone C 156127-36-5 COC1=CC(OC)=C(C2CC(=O)C3=C(O)C=C(O)C(CC=C(C)C)=C3O2)C(OC)=C1 InChI=1S/C23H26O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-20(30-23(14)21)22-18(28-4)8-13(27-3)9-19(22)29-5/h6,8-10,20,24-25H,7,11H2,1-5H3 LKUWYFZLCAUAGB-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position. 8-prenylated flavanones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2'-O-methylated flavonoids 4'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Flavanones Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid 8-prenylated flavanone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Vinylogous acid Flavanones logp 2.52 ALOGPS logs -4.28 ALOGPS solubility 2.19e-02 g/l ALOGPS melting_point Mp 155-156° logp 4.39 ChemAxon pka_strongest_acidic 7.74 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 414.4483 ChemAxon mono_mass 414.167853186 ChemAxon smiles COC1=CC(OC)=C(C2CC(=O)C3=C(O)C=C(O)C(CC=C(C)C)=C3O2)C(OC)=C1 ChemAxon formula C23H26O7 ChemAxon inchi InChI=1S/C23H26O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-20(30-23(14)21)22-18(28-4)8-13(27-3)9-19(22)29-5/h6,8-10,20,24-25H,7,11H2,1-5H3 ChemAxon inchikey LKUWYFZLCAUAGB-UHFFFAOYSA-N ChemAxon polar_surface_area 94.45 ChemAxon refractivity 112.94 ChemAxon polarizability 43.86 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16705 Specdb::CMs 47208 Specdb::CMs 133064 Specdb::CMs 140798 Specdb::MsMs 302911 Specdb::MsMs 302912 Specdb::MsMs 302913 Specdb::MsMs 345748 Specdb::MsMs 345749 Specdb::MsMs 345750 Specdb::MsMs 2278100 Specdb::MsMs 2278101 Specdb::MsMs 2278102 Specdb::MsMs 3087208 Specdb::MsMs 3087209 Specdb::MsMs 3087210 HMDB41256 #<Reference:0x000055ce32115340> Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489