1.0 2010-04-08 22:05:30 UTC 2025-11-18 22:40:11 UTC FDB002738 Myricanol Myricanol is a member of the class of compounds known as meta,meta-bridged biphenyls. Meta,meta-bridged biphenyls are cyclic diarylheptanoids where the two aryl groups are linked to each other by an ether group conjugated to their 3-position. Myricanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Myricanol can be found in anise, which makes myricanol a potential biomarker for the consumption of this food product. 16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 9CI C21H26O5 358.4281 358.178023942 16,17-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol 16,17-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol 33606-81-4 COC1=C(O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1 InChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3 SBGBAZQAEOWGFT-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 homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Polyols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic homopolycyclic compound Benzenoid Ether Hydrocarbon derivative Meta,meta-bridged biphenyl Organic oxygen compound Organooxygen compound Polyol Secondary alcohol logp 3.16 ALOGPS logs -4.40 ALOGPS solubility 1.43e-02 g/l ALOGPS logp 4.1 ChemAxon pka_strongest_acidic 9.65 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 16,17-dimethoxytricyclo[12.3.1.1^{2,6}]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol ChemAxon average_mass 358.4281 ChemAxon mono_mass 358.178023942 ChemAxon smiles COC1=C(O)C2=CC(=C1OC)C1=C(O)C=CC(CCC(O)CCCC2)=C1 ChemAxon formula C21H26O5 ChemAxon inchi InChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,15,22-24H,3-7,9H2,1-2H3 ChemAxon inchikey SBGBAZQAEOWGFT-UHFFFAOYSA-N ChemAxon polar_surface_area 79.15 ChemAxon refractivity 101.04 ChemAxon polarizability 37.95 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67908 Specdb::MsMs 67909 Specdb::MsMs 67910 Specdb::MsMs 125820 Specdb::MsMs 125821 Specdb::MsMs 125822 Specdb::CMs 76738 Anise Type 1 specific Pimpinella anisum 271192