1.0 2010-04-08 22:12:23 UTC 2025-11-19 01:46:34 UTC FDB016360 Americanin B Constituent of the seeds of Phytolacca americana (pokeberry). Americanin B is found in fruits. C27H24O9 492.4741 492.142032366 (2E)-3-{3-[2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl}prop-2-enal (2E)-3-{3-[2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl}prop-2-enal 77053-44-2 OCC1OC2=C(OC1C1=CC3=C(OC(C(CO)O3)C3=CC(O)=C(O)C=C3)C=C1)C=C(\C=C\C=O)C=C2 InChI=1S/C27H24O9/c28-9-1-2-15-3-7-20-22(10-15)36-27(24(13-29)33-20)17-5-8-21-23(12-17)34-25(14-30)26(35-21)16-4-6-18(31)19(32)11-16/h1-12,24-27,29-32H,13-14H2/b2-1+ VDIFGESBHJLSFS-OWOJBTEDSA-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 Aldehydes Alkyl aryl ethers Benzo-1,4-dioxanes Catechols Enals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Para dioxins Primary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-phenylbenzo-1,4-dioxane Alcohol Aldehyde Alkyl aryl ether Alpha,beta-unsaturated aldehyde Aromatic heteropolycyclic compound Benzenoid Benzo-1,4-dioxane Carbonyl group Catechol Enal Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Para-dioxin Phenol Primary alcohol Styrene logp 3.10 ALOGPS logs -4.37 ALOGPS solubility 2.11e-02 g/l ALOGPS melting_point Mp 258-260° logp 2.7 ChemAxon pka_strongest_acidic 9.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2E)-3-{3-[2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl}prop-2-enal ChemAxon average_mass 492.4741 ChemAxon mono_mass 492.142032366 ChemAxon smiles OCC1OC2=C(OC1C1=CC3=C(OC(C(CO)O3)C3=CC(O)=C(O)C=C3)C=C1)C=C(\C=C\C=O)C=C2 ChemAxon formula C27H24O9 ChemAxon inchi InChI=1S/C27H24O9/c28-9-1-2-15-3-7-20-22(10-15)36-27(24(13-29)33-20)17-5-8-21-23(12-17)34-25(14-30)26(35-21)16-4-6-18(31)19(32)11-16/h1-12,24-27,29-32H,13-14H2/b2-1+ ChemAxon inchikey VDIFGESBHJLSFS-OWOJBTEDSA-N ChemAxon polar_surface_area 134.91 ChemAxon refractivity 128.5 ChemAxon polarizability 50.51 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14503 Specdb::CMs 45324 Specdb::CMs 168992 Specdb::MsMs 59895 Specdb::MsMs 59896 Specdb::MsMs 59897 Specdb::MsMs 116115 Specdb::MsMs 116116 Specdb::MsMs 116117 Specdb::MsMs 2368275 Specdb::MsMs 2368276 Specdb::MsMs 2368277 Specdb::MsMs 2567522 Specdb::MsMs 2567523 Specdb::MsMs 2567524 HMDB37338 #<Reference:0x000055ce316087e0> Fruits Unknown generic