1.0 2010-04-08 22:15:30 UTC 2025-11-19 02:35:45 UTC FDB021143 Artonin X Constituent of the bark of Artocarpus heterophyllus (jackfruit). Artonin X is found in jackfruit and fruits. Artonin X C40H38O9 662.7243 662.251582814 (2E)-1-(3-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (2E)-1-(3-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one 89803-85-0 CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C(=CC=C2O)C(=O)\C=C\C2=CC=C(O)C=C2)C2=CC=C(O)C=C2O)=C1O InChI=1S/C40H38O9/c1-21(2)4-11-27-33(44)16-14-29(38(27)47)40(49)36-30(26-12-10-25(42)20-35(26)46)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-7-23-5-8-24(41)9-6-23/h4-10,12-17,19-20,30-31,36,41-42,44-48H,11,18H2,1-3H3/b15-7+ LSWPUMCBBKEXMW-VIZOYTHASA-N belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. Linear diarylheptanoids Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2'-Hydroxychalcones Acryloyl compounds Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Cinnamylphenols Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Organic oxides Resorcinols Styrenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxychalcone Acryloyl-group Alkyl-phenylketone Alpha,beta-unsaturated ketone Aromatic homomonocyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoyl Cinnamylphenol Enone Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Linear 1,3-diarylpropanoid Linear 1,7-diphenylheptane skeleton Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenylketone Resorcinol Styrene Vinylogous acid logp 5.33 ALOGPS logs -5.43 ALOGPS solubility 2.44e-03 g/l ALOGPS logp 9.19 ChemAxon pka_strongest_acidic 7.3 ChemAxon pka_strongest_basic -4 ChemAxon iupac (2E)-1-(3-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 662.7243 ChemAxon mono_mass 662.251582814 ChemAxon smiles CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C(=CC=C2O)C(=O)\C=C\C2=CC=C(O)C=C2)C2=CC=C(O)C=C2O)=C1O ChemAxon formula C40H38O9 ChemAxon inchi InChI=1S/C40H38O9/c1-21(2)4-11-27-33(44)16-14-29(38(27)47)40(49)36-30(26-12-10-25(42)20-35(26)46)18-22(3)19-31(36)37-34(45)17-13-28(39(37)48)32(43)15-7-23-5-8-24(41)9-6-23/h4-10,12-17,19-20,30-31,36,41-42,44-48H,11,18H2,1-3H3/b15-7+ ChemAxon inchikey LSWPUMCBBKEXMW-VIZOYTHASA-N ChemAxon polar_surface_area 175.75 ChemAxon refractivity 191.28 ChemAxon polarizability 70.73 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11050 Specdb::CMs 675194 Specdb::CMs 675195 Specdb::CMs 675196 Specdb::CMs 675197 Specdb::CMs 675198 Specdb::CMs 675199 Specdb::CMs 675200 Specdb::CMs 675201 Specdb::CMs 675202 Specdb::CMs 675203 Specdb::CMs 675204 Specdb::CMs 675205 Specdb::CMs 675206 Specdb::CMs 675207 Specdb::CMs 675208 Specdb::CMs 675209 Specdb::CMs 675210 Specdb::CMs 675211 Specdb::CMs 675212 Specdb::CMs 675213 Specdb::CMs 675214 Specdb::CMs 675215 Specdb::CMs 675216 Specdb::CMs 675217 Specdb::MsMs 86661 Specdb::MsMs 86662 Specdb::MsMs 86663 Specdb::MsMs 149013 Specdb::MsMs 149014 Specdb::MsMs 149015 Specdb::MsMs 2669806 Specdb::MsMs 2669807 Specdb::MsMs 2669808 Specdb::MsMs 3009436 Specdb::MsMs 3009437 Specdb::MsMs 3009438 HMDB30114 #<Reference:0x000055ce326d3d18> Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489