1.0 2010-04-08 22:14:19 UTC 2019-11-26 03:17:26 UTC FDB019382 Isoamericanol A Isolated from the seeds of Phytolacca americana (pokeberry). Isoamericanol A is found in fruits and american pokeweed. 4'-Thioadenosine Isoamericanol C18H18O6 330.3319 330.110338308 4-[3-(hydroxymethyl)-7-[(1Z)-3-hydroxyprop-1-en-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol 4-[3-(hydroxymethyl)-7-[(1Z)-3-hydroxyprop-1-en-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol 121620-06-2 OC\C=C/C1=CC2=C(OC(CO)C(O2)C2=CC(O)=C(O)C=C2)C=C1 InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1- PPZYUSOIUGJLFB-UPHRSURJSA-N belongs to the class of organic compounds known as phenylbenzo-1,4-dioxanes. These are benzo-1,3-dioxanes having a phenyl group attached to the 1,4-dioxane moiety. Phenylbenzo-1,4-dioxanes Organic compounds Organoheterocyclic compounds Benzodioxanes Phenylbenzodioxanes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Benzo-1,4-dioxanes Catechols Hydrocarbon derivatives Oxacyclic compounds Para dioxins Primary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-phenylbenzo-1,4-dioxane Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzo-1,4-dioxane Catechol Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Oxacycle Para-dioxin Phenol Primary alcohol Styrene logp 1.83 ALOGPS logs -3.63 ALOGPS solubility 7.78e-02 g/l ALOGPS melting_point Mp 157-159° logp 1.88 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac 4-[3-(hydroxymethyl)-7-[(1Z)-3-hydroxyprop-1-en-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol ChemAxon average_mass 330.3319 ChemAxon mono_mass 330.110338308 ChemAxon smiles OC\C=C/C1=CC2=C(OC(CO)C(O2)C2=CC(O)=C(O)C=C2)C=C1 ChemAxon formula C18H18O6 ChemAxon inchi InChI=1S/C18H18O6/c19-7-1-2-11-3-6-15-16(8-11)24-18(17(10-20)23-15)12-4-5-13(21)14(22)9-12/h1-6,8-9,17-22H,7,10H2/b2-1- ChemAxon inchikey PPZYUSOIUGJLFB-UPHRSURJSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 88.36 ChemAxon polarizability 34.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22928 Specdb::CMs 46548 Specdb::CMs 147080 Specdb::MsMs 63462 Specdb::MsMs 63463 Specdb::MsMs 63464 Specdb::MsMs 120420 Specdb::MsMs 120421 Specdb::MsMs 120422 Specdb::MsMs 2447175 Specdb::MsMs 2447176 Specdb::MsMs 2447177 Specdb::MsMs 2518845 Specdb::MsMs 2518846 Specdb::MsMs 2518847 HMDB39740 #<Reference:0x000055ce31761880> American pokeweed Type 1 specific Phytolacca americana 3527 Fruits Unknown generic