1.0 2010-04-08 22:10:01 UTC 2019-11-26 03:06:18 UTC FDB012165 Parakmerin A Constituent of the seed of Myristica fragrans (nutmeg). Parakmerin A is found in herbs and spices. (7'S,8'S)-2-(4-Hydroxy-3-methoxyphenyl)-2,3-dihydro-3-methyl-5-(1-propenyl)benzofuran Parakmerin A C19H20O3 296.3603 296.141244506 2-methoxy-4-{3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol 2-methoxy-4-{3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol 119555-99-6 COC1=C(O)C=CC(=C1)C1OC2=C(C=C(\C=C\C)C=C2)C1C InChI=1S/C19H20O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4-12,19-20H,1-3H3/b5-4+ FCFVMNGCSPIORZ-SNAWJCMRSA-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 Alkyl aryl ethers Anisoles Benzofurans Coumarans Hydrocarbon derivatives Lignans, neolignans and related compounds Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Styrenes 1-hydroxy-2-unsubstituted benzenoid 2-arylbenzofuran flavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Coumaran Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Neolignan skeleton Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Styrene logp 4.87 ALOGPS logs -4.86 ALOGPS solubility 4.12e-03 g/l ALOGPS logp 4.67 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 2-methoxy-4-{3-methyl-5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl}phenol ChemAxon average_mass 296.3603 ChemAxon mono_mass 296.141244506 ChemAxon smiles COC1=C(O)C=CC(=C1)C1OC2=C(C=C(\C=C\C)C=C2)C1C ChemAxon formula C19H20O3 ChemAxon inchi InChI=1S/C19H20O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4-12,19-20H,1-3H3/b5-4+ ChemAxon inchikey FCFVMNGCSPIORZ-SNAWJCMRSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 88.39 ChemAxon polarizability 33.4 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13894 Specdb::CMs 43604 Specdb::CMs 137565 Specdb::CMs 145299 Specdb::MsMs 99159 Specdb::MsMs 99160 Specdb::MsMs 99161 Specdb::MsMs 164256 Specdb::MsMs 164257 Specdb::MsMs 164258 Specdb::MsMs 2453260 Specdb::MsMs 2453261 Specdb::MsMs 2453262 Specdb::MsMs 2482915 Specdb::MsMs 2482916 Specdb::MsMs 2482917 HMDB33950 #<Reference:0x000055ce3299ed18> Herbs and Spices Unknown generic