1.0 2010-04-08 22:11:50 UTC 2025-11-19 00:55:01 UTC FDB015429 Myricanol 5-sophoroside Constituent of Myrica rubra (Chinese bayberry). Myricanol 5-sophoroside is found in fruits. Myricanol 5-[glucosyl-(1->6)-glucoside] Myricanol 5-b-sophoroside Myricanol 5-beta-sophoroside Myricanol 5-O-[b-D-glucopyranosyl-(1->6)-b-D-glucopyranoside] Myricanol 5-O-[b-D-glucosyl-(1->6)-b-D-glucoside] Myricanol 5-sophoroside C33H46O15 682.7093 682.283670802 2-({11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-5-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-({11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-5-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 116107-17-6 COC1=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1 InChI=1S/C33H46O15/c1-43-30-19-12-16(5-3-4-6-17(35)9-7-15-8-10-20(36)18(19)11-15)29(31(30)44-2)48-33-28(42)26(40)24(38)22(47-33)14-45-32-27(41)25(39)23(37)21(13-34)46-32/h8,10-12,17,21-28,32-42H,3-7,9,13-14H2,1-2H3 MWHPGFTUVBRCFT-UHFFFAOYSA-N belongs to the class of organic compounds known as meta,meta-bridged biphenyls. These are cyclic diarylheptanoids where the two aryl groups are linked to each other by an ether group conjugated to their 3-position. Meta,meta-bridged biphenyls Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Cyclic diarylheptanoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Disaccharide Ether Glycosyl compound Hydrocarbon derivative Meta,meta-bridged biphenyl O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol logp 0.17 ALOGPS logs -2.87 ALOGPS solubility 9.25e-01 g/l ALOGPS logp 0.058 ChemAxon pka_strongest_acidic 9.79 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-({11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-5-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 682.7093 ChemAxon mono_mass 682.283670802 ChemAxon smiles COC1=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1 ChemAxon formula C33H46O15 ChemAxon inchi InChI=1S/C33H46O15/c1-43-30-19-12-16(5-3-4-6-17(35)9-7-15-8-10-20(36)18(19)11-15)29(31(30)44-2)48-33-28(42)26(40)24(38)22(47-33)14-45-32-27(41)25(39)23(37)21(13-34)46-32/h8,10-12,17,21-28,32-42H,3-7,9,13-14H2,1-2H3 ChemAxon inchikey MWHPGFTUVBRCFT-UHFFFAOYSA-N ChemAxon polar_surface_area 237.45 ChemAxon refractivity 165.59 ChemAxon polarizability 69.19 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11071 Specdb::CMs 726840 Specdb::CMs 726841 Specdb::CMs 726842 Specdb::CMs 726843 Specdb::CMs 726844 Specdb::CMs 726845 Specdb::CMs 726846 Specdb::CMs 726847 Specdb::CMs 726848 Specdb::CMs 726849 Specdb::CMs 726850 Specdb::CMs 726851 Specdb::CMs 726852 Specdb::CMs 726853 Specdb::CMs 726854 Specdb::CMs 726855 Specdb::CMs 726856 Specdb::CMs 726857 Specdb::CMs 726858 Specdb::CMs 726859 Specdb::CMs 726860 Specdb::CMs 726861 Specdb::CMs 726862 Specdb::CMs 726863 Specdb::MsMs 97524 Specdb::MsMs 97525 Specdb::MsMs 97526 Specdb::MsMs 162264 Specdb::MsMs 162265 Specdb::MsMs 162266 Specdb::MsMs 3035705 Specdb::MsMs 3035706 Specdb::MsMs 3035707 Specdb::MsMs 3103700 Specdb::MsMs 3103701 Specdb::MsMs 3103702 HMDB36529 #<Reference:0x000055ce3357ce50> Fruits Unknown generic