1.0 2010-04-08 22:09:43 UTC 2025-11-18 23:29:25 UTC FDB011597 Fragransol A Constituent of Myristica fragrans (nutmeg). Fragransol A is found in nutmeg and herbs and spices. Fragransol A C21H26O6 374.4275 374.172938564 4-[5-(2-hydroxy-1-methoxypropyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 4-[5-(2-hydroxy-1-methoxypropyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol 114394-19-3 COC(C(C)O)C1=CC2=C(OC(C2C)C2=CC(OC)=C(O)C=C2)C(OC)=C1 InChI=1S/C21H26O6/c1-11-15-8-14(20(26-5)12(2)22)10-18(25-4)21(15)27-19(11)13-6-7-16(23)17(9-13)24-3/h6-12,19-20,22-23H,1-5H3 DHRVKFSLKMAPEL-UHFFFAOYSA-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 Dialkyl ethers Hydrocarbon derivatives Lignans, neolignans and related compounds Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 2-arylbenzofuran flavonoid Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Coumaran Dialkyl ether Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Neolignan skeleton Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Secondary alcohol logp 3.04 ALOGPS logs -4.31 ALOGPS solubility 1.82e-02 g/l ALOGPS logp 3.05 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-[5-(2-hydroxy-1-methoxypropyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol ChemAxon average_mass 374.4275 ChemAxon mono_mass 374.172938564 ChemAxon smiles COC(C(C)O)C1=CC2=C(OC(C2C)C2=CC(OC)=C(O)C=C2)C(OC)=C1 ChemAxon formula C21H26O6 ChemAxon inchi InChI=1S/C21H26O6/c1-11-15-8-14(20(26-5)12(2)22)10-18(25-4)21(15)27-19(11)13-6-7-16(23)17(9-13)24-3/h6-12,19-20,22-23H,1-5H3 ChemAxon inchikey DHRVKFSLKMAPEL-UHFFFAOYSA-N ChemAxon polar_surface_area 77.38 ChemAxon refractivity 101.44 ChemAxon polarizability 40.46 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14173 Specdb::CMs 43348 Specdb::CMs 146385 Specdb::MsMs 13148 Specdb::MsMs 13149 Specdb::MsMs 13150 Specdb::MsMs 19820 Specdb::MsMs 19821 Specdb::MsMs 19822 Specdb::MsMs 2392255 Specdb::MsMs 2392256 Specdb::MsMs 2392257 Specdb::MsMs 2569556 Specdb::MsMs 2569557 Specdb::MsMs 2569558 HMDB33537 #<Reference:0x000055ce325c63d0> Herbs and Spices Unknown generic Nutmeg Type 1 specific Myristica fragrans 51089