1.0 2010-04-08 22:11:27 UTC 2025-11-19 00:49:30 UTC FDB014768 Artonin C Constituent of Artocarpus heterophyllus (jackfruit). Artonin C is found in jackfruit and fruits. C40H38O10 678.7237 678.246497436 (2E)-1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one (2E)-1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one 128553-97-9 CC(C)\C=C\C1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=CC(C(=O)\C=C\C3=C(O)C=C(O)C=C3)=C2O)C2=C(O)C=C(O)C=C2)=C1O InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-15,17-20,29-30,36,41-42,44-49H,16H2,1-3H3/b9-4+,13-6+ JMWCPXJWKKIWQK-NUTCGYRKSA-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 4.96 ALOGPS logs -5.33 ALOGPS solubility 3.21e-03 g/l ALOGPS melting_point Mp 169-171° logp 9.01 ChemAxon pka_strongest_acidic 7.35 ChemAxon pka_strongest_basic -4 ChemAxon iupac (2E)-1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 678.7237 ChemAxon mono_mass 678.246497436 ChemAxon smiles CC(C)\C=C\C1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=CC(C(=O)\C=C\C3=C(O)C=C(O)C=C3)=C2O)C2=C(O)C=C(O)C=C2)=C1O ChemAxon formula C40H38O10 ChemAxon inchi InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-15,17-20,29-30,36,41-42,44-49H,16H2,1-3H3/b9-4+,13-6+ ChemAxon inchikey JMWCPXJWKKIWQK-NUTCGYRKSA-N ChemAxon polar_surface_area 195.98 ChemAxon refractivity 193.52 ChemAxon polarizability 72.53 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100125 Specdb::MsMs 100126 Specdb::MsMs 100127 Specdb::MsMs 165366 Specdb::MsMs 165367 Specdb::MsMs 165368 Specdb::MsMs 2272644 Specdb::MsMs 2272645 Specdb::MsMs 2272646 Specdb::MsMs 3070209 Specdb::MsMs 3070210 Specdb::MsMs 3070211 Specdb::CMs 17113 Specdb::CMs 720635 Specdb::CMs 720636 Specdb::CMs 720637 Specdb::CMs 720638 Specdb::CMs 720639 Specdb::CMs 720640 Specdb::CMs 720641 Specdb::CMs 720642 Specdb::CMs 720643 Specdb::CMs 720644 Specdb::CMs 720645 Specdb::CMs 720646 Specdb::CMs 720647 Specdb::CMs 720648 Specdb::CMs 720649 Specdb::CMs 720650 Specdb::CMs 720651 Specdb::CMs 720652 Specdb::CMs 720653 Specdb::CMs 720654 Specdb::CMs 720655 Specdb::CMs 720656 Specdb::CMs 720657 Specdb::CMs 720658 HMDB35964 #<Reference:0x000055ce31860ba0> Fruits Unknown generic Jackfruit Type 1 specific Artocarpus heterophyllus 3489