1.0 2010-04-08 22:14:01 UTC 2019-11-26 03:16:52 UTC FDB018907 Myricanene A 5-[arabinosyl-(1->6)-glucoside] Constituent of the bark of Myrica rubra (Chinese bayberry). Myricanene A 5-[arabinosyl-(1->6)-glucoside] is found in fruits. Myricanene A 5-[arabinosyl-(1->6)-glucoside] Myricanene A 5-O-[a-L-arabinofuranosyl-(1->6)-b-D-glucopyranoside] Myricanene A 5-O-[a-L-arabinosyl-(1->6)-b-D-glucoside] C32H42O13 634.6681 634.26254143 2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(10Z)-17-hydroxy-3,4-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-5-yl]oxy}oxane-3,4,5-triol 2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(10Z)-17-hydroxy-3,4-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-5-yl]oxy}oxane-3,4,5-triol 302-72-7 COC1=C(OC)C2=CC(CCC\C=C/CCC3=CC=C(O)C2=C3)=C1OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h3-4,10-13,21-27,31-39H,5-9,14-15H2,1-2H3/b4-3- YPIDUTRPMROMSO-ARJAWSKDSA-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 Tetrahydrofurans 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 Tetrahydrofuran logp 2.09 ALOGPS logs -3.32 ALOGPS solubility 3.04e-01 g/l ALOGPS logp 1.71 ChemAxon pka_strongest_acidic 9.79 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(10Z)-17-hydroxy-3,4-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-5-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 634.6681 ChemAxon mono_mass 634.26254143 ChemAxon smiles COC1=C(OC)C2=CC(CCC\C=C/CCC3=CC=C(O)C2=C3)=C1OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O ChemAxon formula C32H42O13 ChemAxon inchi InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h3-4,10-13,21-27,31-39H,5-9,14-15H2,1-2H3/b4-3- ChemAxon inchikey YPIDUTRPMROMSO-ARJAWSKDSA-N ChemAxon polar_surface_area 196.99 ChemAxon refractivity 159.08 ChemAxon polarizability 64.58 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72981 Specdb::MsMs 72982 Specdb::MsMs 72983 Specdb::MsMs 132045 Specdb::MsMs 132046 Specdb::MsMs 132047 HMDB39351 #<Reference:0x000055ce331e8230> Fruits Unknown generic