1.0 2010-04-08 22:14:29 UTC 2025-11-19 02:22:39 UTC FDB019636 Gnemonol A Constituent of the roots of Gnetum gnemon (bago). Gnemonol A is found in green vegetables. Gnemonol A C42H32O10 696.6975 696.199547244 18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1(20),2(6),7,12(17),13,15-hexaene-14,16-diol 18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1(20),2(6),7,12(17),13,15-hexaene-14,16-diol OC1=CC=C(C=C1)C1OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C3=C2C1C1=C(C(C3)C2=CC=C(O)C=C2O)C(O)=CC(O)=C1 InChI=1S/C42H32O10/c43-22-5-1-19(2-6-22)41-36(21-11-25(46)13-26(47)12-21)38-31-17-29(28-10-9-24(45)15-32(28)49)37-30(14-27(48)16-33(37)50)40-39(31)35(18-34(38)51-41)52-42(40)20-3-7-23(44)8-4-20/h1-16,18,29,36,40-50H,17H2 UEEKKINQMNKIGR-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1-phenylcoumarans Alkyl aryl ethers Benzene and substituted derivatives Benzofurans Dibenzocycloheptenes Hydrocarbon derivatives Lignans, neolignans and related compounds Linear diarylheptanoids Oxacyclic compounds Resorcinols Stilbenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-phenylcoumaran 2-arylbenzofuran flavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Coumaran Dibenzocycloheptene Ether Hydrocarbon derivative Linear 1,7-diphenylheptane skeleton Monocyclic benzene moiety Neolignan skeleton Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Resorcinol Stilbene logp 5.09 ALOGPS logs -5.53 ALOGPS solubility 2.05e-03 g/l ALOGPS logp 7.86 ChemAxon pka_strongest_acidic 8.68 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1(20),2(6),7,12(17),13,15-hexaene-14,16-diol ChemAxon average_mass 696.6975 ChemAxon mono_mass 696.199547244 ChemAxon smiles OC1=CC=C(C=C1)C1OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C3=C2C1C1=C(C(C3)C2=CC=C(O)C=C2O)C(O)=CC(O)=C1 ChemAxon formula C42H32O10 ChemAxon inchi InChI=1S/C42H32O10/c43-22-5-1-19(2-6-22)41-36(21-11-25(46)13-26(47)12-21)38-31-17-29(28-10-9-24(45)15-32(28)49)37-30(14-27(48)16-33(37)50)40-39(31)35(18-34(38)51-41)52-42(40)20-3-7-23(44)8-4-20/h1-16,18,29,36,40-50H,17H2 ChemAxon inchikey UEEKKINQMNKIGR-UHFFFAOYSA-N ChemAxon polar_surface_area 180.3 ChemAxon refractivity 192.07 ChemAxon polarizability 71.61 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 746014 Specdb::CMs 746015 Specdb::CMs 746016 Specdb::CMs 746017 Specdb::CMs 746018 Specdb::CMs 746019 Specdb::CMs 746020 Specdb::CMs 746021 Specdb::CMs 746022 Specdb::CMs 746023 Specdb::CMs 746024 Specdb::CMs 746025 Specdb::CMs 746026 Specdb::CMs 746027 Specdb::CMs 746028 Specdb::CMs 746029 Specdb::CMs 746030 Specdb::CMs 746031 Specdb::CMs 746032 Specdb::CMs 746033 Specdb::CMs 746034 Specdb::CMs 746035 Specdb::CMs 746036 Specdb::CMs 746037 Specdb::CMs 746038 Specdb::MsMs 287620 Specdb::MsMs 287621 Specdb::MsMs 287622 Specdb::MsMs 326503 Specdb::MsMs 326504 Specdb::MsMs 326505 Specdb::MsMs 2822966 Specdb::MsMs 2822967 Specdb::MsMs 2822968 Specdb::MsMs 2858774 Specdb::MsMs 2858775 Specdb::MsMs 2858776 HMDB39969 #<Reference:0x000055ce2d041f40> Green vegetables Unknown generic