1.0 2010-04-08 22:05:10 UTC 2025-11-18 22:33:38 UTC FDB001913 Kuwanon J Metabolite of tissue cultures of Morus alba (white mulberry). Kuwanon J is found in fruits. C40H38O10 678.7237 678.246497436 (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-(2,4-dihydroxyphenyl)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-(2,4-dihydroxyphenyl)prop-2-en-1-one 83709-26-6 CC(C)=CCC1=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/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+ KBAPHKOHTBBCTO-AWNIVKPZSA-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 5.02 ALOGPS logs -5.47 ALOGPS solubility 2.32e-03 g/l ALOGPS logp 8.88 ChemAxon pka_strongest_acidic 7.29 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-(2,4-dihydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 678.7237 ChemAxon mono_mass 678.246497436 ChemAxon smiles CC(C)=CCC1=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/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+ ChemAxon inchikey KBAPHKOHTBBCTO-AWNIVKPZSA-N ChemAxon polar_surface_area 195.98 ChemAxon refractivity 193.26 ChemAxon polarizability 72.45 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84777 Specdb::MsMs 84778 Specdb::MsMs 84779 Specdb::MsMs 146715 Specdb::MsMs 146716 Specdb::MsMs 146717 Specdb::MsMs 2398965 Specdb::MsMs 2398966 Specdb::MsMs 2398967 Specdb::MsMs 2535896 Specdb::MsMs 2535897 Specdb::MsMs 2535898 Specdb::CMs 11535 Specdb::CMs 720535 Specdb::CMs 720536 Specdb::CMs 720537 Specdb::CMs 720538 Specdb::CMs 720539 Specdb::CMs 720540 Specdb::CMs 720541 Specdb::CMs 720542 Specdb::CMs 720543 Specdb::CMs 720544 Specdb::CMs 720545 Specdb::CMs 720546 Specdb::CMs 720547 Specdb::CMs 720548 Specdb::CMs 720549 Specdb::CMs 720550 Specdb::CMs 720551 Specdb::CMs 720552 Specdb::CMs 720553 Specdb::CMs 720554 Specdb::CMs 720555 Specdb::CMs 720556 Specdb::CMs 720557 Specdb::CMs 720558 HMDB0030112 Fruits Unknown generic