1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:45 UTC FDB001747 3-Isopentadienyl-3',4,5'-trihydroxystilbene 3-isopentadienyl-3',4,5'-trihydroxystilbene is a member of the class of compounds known as stilbenes. Stilbenes 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. 3-isopentadienyl-3',4,5'-trihydroxystilbene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-isopentadienyl-3',4,5'-trihydroxystilbene can be found in peanut, which makes 3-isopentadienyl-3',4,5'-trihydroxystilbene a potential biomarker for the consumption of this food product. C19H18O3 294.3444 294.125594442 5-[(E)-2-{4-hydroxy-3-[(1E)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]benzene-1,3-diol 5-[(E)-2-{4-hydroxy-3-[(1E)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]benzene-1,3-diol 170557-18-3 CC(=C)\C=C\C1=C(O)C=CC(\C=C\C2=CC(O)=CC(O)=C2)=C1 InChI=1S/C19H18O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-12,20-22H,1H2,2H3/b5-4+,7-3+ MNTCXQWBUINPSP-JLVHPEPXSA-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-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds Resorcinols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Resorcinol Stilbene Styrene logp 4.21 ALOGPS logs -4.06 ALOGPS solubility 2.55e-02 g/l ALOGPS logp 4.91 ChemAxon pka_strongest_acidic 8.93 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 5-[(E)-2-{4-hydroxy-3-[(1E)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]benzene-1,3-diol ChemAxon average_mass 294.3444 ChemAxon mono_mass 294.125594442 ChemAxon smiles CC(=C)\C=C\C1=C(O)C=CC(\C=C\C2=CC(O)=CC(O)=C2)=C1 ChemAxon formula C19H18O3 ChemAxon inchi InChI=1S/C19H18O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-12,20-22H,1H2,2H3/b5-4+,7-3+ ChemAxon inchikey MNTCXQWBUINPSP-JLVHPEPXSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 91.74 ChemAxon polarizability 33.21 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63045 Specdb::MsMs 63046 Specdb::MsMs 63047 Specdb::MsMs 119919 Specdb::MsMs 119920 Specdb::MsMs 119921 Specdb::MsMs 3598313 Specdb::MsMs 3598314 Specdb::MsMs 3598315 Specdb::MsMs 3598316 Specdb::MsMs 3598317 Specdb::MsMs 3598318 Peanut Type 1 specific Arachis hypogaea 3818