1.0 2010-04-08 22:05:19 UTC 2020-02-24 19:10:29 UTC FDB002303 Fragransol D Constituent of Myristica fragrans (nutmeg). Fragransol D is found in nutmeg and herbs and spices. C21H22O6 370.3958 370.141638436 (2E)-3-[7-methoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-ol (2E)-3-[7-methoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-ol 114892-43-2 COC1=CC(\C=C\CO)=CC2=C1OC(C2C)C1=CC(OC)=C2OCOC2=C1 InChI=1S/C21H22O6/c1-12-15-7-13(5-4-6-22)8-16(23-2)20(15)27-19(12)14-9-17(24-3)21-18(10-14)25-11-26-21/h4-5,7-10,12,19,22H,6,11H2,1-3H3/b5-4+ ALMMZKOPVITQNK-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 Acetals Alkyl aryl ethers Anisoles Benzodioxoles Benzofurans Coumarans Hydrocarbon derivatives Lignans, neolignans and related compounds Oxacyclic compounds Primary alcohols Styrenes 2-arylbenzofuran flavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzofuran Coumaran Ether Hydrocarbon derivative Neolignan skeleton Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Styrene logp 3.54 ALOGPS logs -4.45 ALOGPS solubility 1.32e-02 g/l ALOGPS logp 3.16 ChemAxon pka_strongest_acidic 15.62 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac (2E)-3-[7-methoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-ol ChemAxon average_mass 370.3958 ChemAxon mono_mass 370.141638436 ChemAxon smiles COC1=CC(\C=C\CO)=CC2=C1OC(C2C)C1=CC(OC)=C2OCOC2=C1 ChemAxon formula C21H22O6 ChemAxon inchi InChI=1S/C21H22O6/c1-12-15-7-13(5-4-6-22)8-16(23-2)20(15)27-19(12)14-9-17(24-3)21-18(10-14)25-11-26-21/h4-5,7-10,12,19,22H,6,11H2,1-3H3/b5-4+ ChemAxon inchikey ALMMZKOPVITQNK-SNAWJCMRSA-N ChemAxon polar_surface_area 66.38 ChemAxon refractivity 100.41 ChemAxon polarizability 40.24 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15864 Specdb::CMs 41929 Specdb::CMs 148723 Specdb::MsMs 106593 Specdb::MsMs 106594 Specdb::MsMs 106595 Specdb::MsMs 173394 Specdb::MsMs 173395 Specdb::MsMs 173396 Specdb::MsMs 2841492 Specdb::MsMs 2841493 Specdb::MsMs 2841494 Specdb::MsMs 2863938 Specdb::MsMs 2863939 Specdb::MsMs 2863940 HMDB30439 #<Reference:0x000055ce30aa3288> Herbs and Spices Unknown generic Nutmeg Type 1 specific Myristica fragrans 51089