1.0 2010-04-08 22:15:15 UTC 2019-11-26 03:19:25 UTC FDB020770 Batatasin II Constituent of Dioscorea batatas (Chinese yam). Batatasin II is found in root vegetables. 1-(2,3-Dihydroxy-4,5-dimethoxyphenyl)-2-phenylethane 2,3-Dihydroxy-4,5-dimethoxybibenzyl Batatasin II C16H18O4 274.3117 274.120509064 3,4-dimethoxy-6-(2-phenylethyl)benzene-1,2-diol 3,4-dimethoxy-6-(2-phenylethyl)benzene-1,2-diol 39354-56-8 COC1=C(OC)C(O)=C(O)C(CCC2=CC=CC=C2)=C1 InChI=1S/C16H18O4/c1-19-13-10-12(14(17)15(18)16(13)20-2)9-8-11-6-4-3-5-7-11/h3-7,10,17-18H,8-9H2,1-2H3 CWSITSYPUXRHCS-UHFFFAOYSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Stilbenes Organic compounds Phenylpropanoids and polyketides Stilbenes Aromatic homomonocyclic compounds 1-hydroxy-4-unsubstituted benzenoids 4-alkoxyphenols Alkyl aryl ethers Anisoles Catechols Dimethoxybenzenes Hydrocarbon derivatives Methoxyphenols Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoid 4-alkoxyphenol Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Catechol Dimethoxybenzene Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-dimethoxybenzene Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Stilbene logp 2.83 ALOGPS logs -3.71 ALOGPS solubility 5.40e-02 g/l ALOGPS logp 3.59 ChemAxon pka_strongest_acidic 10.04 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 3,4-dimethoxy-6-(2-phenylethyl)benzene-1,2-diol ChemAxon average_mass 274.3117 ChemAxon mono_mass 274.120509064 ChemAxon smiles COC1=C(OC)C(O)=C(O)C(CCC2=CC=CC=C2)=C1 ChemAxon formula C16H18O4 ChemAxon inchi InChI=1S/C16H18O4/c1-19-13-10-12(14(17)15(18)16(13)20-2)9-8-11-6-4-3-5-7-11/h3-7,10,17-18H,8-9H2,1-2H3 ChemAxon inchikey CWSITSYPUXRHCS-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 77.28 ChemAxon polarizability 29.65 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21841 Specdb::CMs 47033 Specdb::CMs 154078 Specdb::MsMs 314524 Specdb::MsMs 314525 Specdb::MsMs 314526 Specdb::MsMs 360295 Specdb::MsMs 360296 Specdb::MsMs 360297 Specdb::MsMs 2330280 Specdb::MsMs 2330281 Specdb::MsMs 2330282 Specdb::MsMs 2635735 Specdb::MsMs 2635736 Specdb::MsMs 2635737 HMDB40929 #<Reference:0x000055ce30f268f0> Root vegetables Unknown generic