1.0 2010-04-08 22:05:32 UTC 2020-02-24 19:10:38 UTC FDB002808 Artocarpin Isolated from Artocarpus heterophyllus (jackfruit). Artocarpin is found in breadfruit, jackfruit, and fruits. 2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI 2',4',5-Trihydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)flavone 5-Hydroxy-7-methoxy-3-(3-methyl-2-butenyl)-6-(3-methyl-1-butenyl)-2-(2,4-dihydroxyphenyl)-4H-1-benzopyran-4-one Artocarpin lectin C26H28O6 436.4969 436.188588628 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(1E)-3-methylbut-1-en-1-yl]-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(1E)-3-methylbut-1-en-1-yl]-3-(3-methylbut-2-en-1-yl)chromen-4-one 7608-44-8 COC1=CC2=C(C(O)=C1\C=C\C(C)C)C(=O)C(CC=C(C)C)=C(O2)C1=C(O)C=C(O)C=C1 InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+ KRGDFVQWQJIMEK-RMKNXTFCSA-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Resorcinols Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-prenylated flavone 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton Alkyl aryl ether Anisole 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 Pyranone Resorcinol Styrene Vinylogous acid monomethoxyflavone trihydroxyflavone logp 5.18 ALOGPS logs -5.22 ALOGPS solubility 2.64e-03 g/l ALOGPS melting_point Mp 174-175° logp 6.01 ChemAxon pka_strongest_acidic 7.98 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(1E)-3-methylbut-1-en-1-yl]-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one ChemAxon average_mass 436.4969 ChemAxon mono_mass 436.188588628 ChemAxon smiles COC1=CC2=C(C(O)=C1\C=C\C(C)C)C(=O)C(CC=C(C)C)=C(O2)C1=C(O)C=C(O)C=C1 ChemAxon formula C26H28O6 ChemAxon inchi InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+ ChemAxon inchikey KRGDFVQWQJIMEK-RMKNXTFCSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 127.45 ChemAxon polarizability 48.59 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18522 Specdb::CMs 42209 Specdb::CMs 172340 Specdb::MsMs 81339 Specdb::MsMs 81340 Specdb::MsMs 81341 Specdb::MsMs 142428 Specdb::MsMs 142429 Specdb::MsMs 142430 Specdb::MsMs 285826 Specdb::MsMs 285827 Specdb::MsMs 285828 Specdb::MsMs 285829 Specdb::MsMs 285830 Specdb::MsMs 285831 Specdb::MsMs 373851 Specdb::MsMs 373852 Specdb::MsMs 373853 Specdb::MsMs 373854 Specdb::MsMs 373855 Specdb::MsMs 373856 Specdb::MsMs 440329 Specdb::MsMs 440330 Specdb::MsMs 440331 Specdb::MsMs 440332 Specdb::MsMs 440333 Specdb::MsMs 2229823 Specdb::MsMs 2232089 HMDB30849 #<Reference:0x000055ce3187bc48> Breadfruit Type 1 specific Artocarpus altilis 194251 Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489