1.0 2010-04-08 22:14:13 UTC 2019-11-26 03:17:16 UTC FDB019227 Americanin D Constituent of Phytolacca americana (pokeberry). Americanin D is found in fruits and green vegetables. C18H16O6 328.316 328.094688244 (2Z)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal (2Z)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal 77053-45-3 OCC1C(OC2=C1C=C(\C=C/C=O)C=C2O)C1=CC(O)=C(O)C=C1 InChI=1S/C18H16O6/c19-5-1-2-10-6-12-13(9-20)17(24-18(12)16(23)7-10)11-3-4-14(21)15(22)8-11/h1-8,13,17,20-23H,9H2/b2-1- CGSLPFBMGQUTKF-UPHRSURJSA-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 1-hydroxy-4-unsubstituted benzenoids Aldehydes Alkyl aryl ethers Benzofurans Catechols Coumarans Enals Hydrocarbon derivatives Lignans, neolignans and related compounds Organic oxides Oxacyclic compounds Primary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylbenzofuran flavonoid Alcohol Aldehyde Alkyl aryl ether Alpha,beta-unsaturated aldehyde Aromatic heteropolycyclic compound Benzenoid Benzofuran Carbonyl group Catechol Coumaran Enal Ether Hydrocarbon derivative Monocyclic benzene moiety Neolignan skeleton Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Primary alcohol Styrene logp 2.16 ALOGPS logs -3.86 ALOGPS solubility 4.48e-02 g/l ALOGPS melting_point Mp 197-200° logp 1.7 ChemAxon pka_strongest_acidic 9.11 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2Z)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal ChemAxon average_mass 328.316 ChemAxon mono_mass 328.094688244 ChemAxon smiles OCC1C(OC2=C1C=C(\C=C/C=O)C=C2O)C1=CC(O)=C(O)C=C1 ChemAxon formula C18H16O6 ChemAxon inchi InChI=1S/C18H16O6/c19-5-1-2-10-6-12-13(9-20)17(24-18(12)16(23)7-10)11-3-4-14(21)15(22)8-11/h1-8,13,17,20-23H,9H2/b2-1- ChemAxon inchikey CGSLPFBMGQUTKF-UPHRSURJSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 88.43 ChemAxon polarizability 33.13 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10161 Specdb::CMs 46475 Specdb::CMs 154765 Specdb::MsMs 48510 Specdb::MsMs 48511 Specdb::MsMs 48512 Specdb::MsMs 124404 Specdb::MsMs 124405 Specdb::MsMs 124406 Specdb::MsMs 2436139 Specdb::MsMs 2436140 Specdb::MsMs 2436141 Specdb::MsMs 2526075 Specdb::MsMs 2526076 Specdb::MsMs 2526077 HMDB39601 #<Reference:0x000055ce32226d88> Fruits Unknown generic Green vegetables Unknown generic