1.0 2010-04-08 22:11:50 UTC 2019-11-26 03:11:35 UTC FDB015427 Myricanol 5-[arabinosyl-(1->6)-glucoside] Constituent of Myrica rubra (Chinese bayberry). Myricanol 5-[arabinosyl-(1->6)-glucoside] is found in fruits. Myricanol 5-[arabinosyl-(1->6)-glucoside] Myricanol 5-O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside] Myricanol 5-O-[a-L-arabinosyl-(1->6)-b-D-glucoside] C32H44O15 668.6828 668.268020738 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-5-(hydroxymethyl)oxolan-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-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 593-50-0 COC1=C(OC2OC(COC3OC(O)(CO)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1 InChI=1S/C32H44O15/c1-42-27-19-12-16(5-3-4-6-17(34)9-7-15-8-10-20(35)18(19)11-15)26(28(27)43-2)46-31-24(38)23(37)22(36)21(45-31)13-44-30-25(39)29(40)32(41,14-33)47-30/h8,10-12,17,21-25,29-31,33-41H,3-7,9,13-14H2,1-2H3 XNUIYJUJZLMXMW-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 Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Disaccharide Ether Glycosyl compound Hemiacetal 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 Tetrahydrofuran logp 0.66 ALOGPS logs -3.05 ALOGPS solubility 5.99e-01 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 9.66 ChemAxon pka_strongest_basic -3.5 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-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 668.6828 ChemAxon mono_mass 668.268020738 ChemAxon smiles COC1=C(OC2OC(COC3OC(O)(CO)C(O)C3O)C(O)C(O)C2O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1 ChemAxon formula C32H44O15 ChemAxon inchi InChI=1S/C32H44O15/c1-42-27-19-12-16(5-3-4-6-17(34)9-7-15-8-10-20(35)18(19)11-15)26(28(27)43-2)46-31-24(38)23(37)22(36)21(45-31)13-44-30-25(39)29(40)32(41,14-33)47-30/h8,10-12,17,21-25,29-31,33-41H,3-7,9,13-14H2,1-2H3 ChemAxon inchikey XNUIYJUJZLMXMW-UHFFFAOYSA-N ChemAxon polar_surface_area 237.45 ChemAxon refractivity 161.1 ChemAxon polarizability 67.3 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13206 Specdb::CMs 700803 Specdb::CMs 700804 Specdb::CMs 700805 Specdb::CMs 700806 Specdb::CMs 700807 Specdb::CMs 700808 Specdb::CMs 700809 Specdb::CMs 700810 Specdb::CMs 700811 Specdb::CMs 700812 Specdb::CMs 700813 Specdb::CMs 700814 Specdb::CMs 700815 Specdb::CMs 700816 Specdb::CMs 700817 Specdb::CMs 700818 Specdb::CMs 700819 Specdb::CMs 700820 Specdb::CMs 700821 Specdb::CMs 700822 Specdb::CMs 700823 Specdb::CMs 700824 Specdb::CMs 700825 Specdb::CMs 700826 Specdb::MsMs 97176 Specdb::MsMs 97177 Specdb::MsMs 97178 Specdb::MsMs 161850 Specdb::MsMs 161851 Specdb::MsMs 161852 Specdb::MsMs 2269807 Specdb::MsMs 2269808 Specdb::MsMs 2269809 Specdb::MsMs 3072192 Specdb::MsMs 3072193 Specdb::MsMs 3072194 HMDB36527 #<Reference:0x000055ce3166fe90> Fruits Unknown generic