1.02010-04-08 22:07:53 UTC2019-11-26 03:01:56 UTCFDB0080102,10-Di-(gamma,gamma-dimethylallyl)-glycinol2,10-di-(gamma,gamma-dimethylallyl)-glycinol is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. 2,10-di-(gamma,gamma-dimethylallyl)-glycinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,10-di-(gamma,gamma-dimethylallyl)-glycinol can be found in lima bean, which makes 2,10-di-(gamma,gamma-dimethylallyl)-glycinol a potential biomarker for the consumption of this food product. C25H28O5408.4868408.193674006(1S,10S)-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10,14-triol(1S,10S)-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10,14-triol[H][C@@]12OC3=C(C=CC(O)=C3CC=C(C)C)[C@]1(O)COC1=C2C=C(CC=C(C)C)C(O)=C1InChI=1S/C25H28O5/c1-14(2)5-7-16-11-18-22(12-21(16)27)29-13-25(28)19-9-10-20(26)17(8-6-15(3)4)23(19)30-24(18)25/h5-6,9-12,24,26-28H,7-8,13H2,1-4H3/t24-,25+/m0/s1ZAAKSBRPXNODLV-LOSJGSFVSA-N belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.PterocarpansOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsFuranoisoflavonoidsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersBenzofuransCoumaransHydrocarbon derivativesIsoflavanolsOxacyclic compoundsPolyolsTertiary alcohols1-benzopyran1-hydroxy-2-unsubstituted benzenoidAlcoholAlkyl aryl etherAromatic heteropolycyclic compoundBenzenoidBenzofuranBenzopyranChromaneCoumaranEtherHydrocarbon derivativeIsoflavanIsoflavanolOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePolyolPterocarpanTertiary alcohollogp4.40logs-4.76solubility7.06e-03 g/llogp5.17pka_strongest_acidic8.91pka_strongest_basic-4.1iupac(1S,10S)-4,15-bis(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10,14-triolaverage_mass408.4868mono_mass408.193674006smiles[H][C@@]12OC3=C(C=CC(O)=C3CC=C(C)C)[C@]1(O)COC1=C2C=C(CC=C(C)C)C(O)=C1formulaC25H28O5inchiInChI=1S/C25H28O5/c1-14(2)5-7-16-11-18-22(12-21(16)27)29-13-25(28)19-9-10-20(26)17(8-6-15(3)4)23(19)30-24(18)25/h5-6,9-12,24,26-28H,7-8,13H2,1-4H3/t24-,25+/m0/s1inchikeyZAAKSBRPXNODLV-LOSJGSFVSA-Npolar_surface_area79.15refractivity118.15polarizability46.11rotatable_bond_count4acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::MsMs64518Specdb::MsMs64519Specdb::MsMs64520Specdb::MsMs121689Specdb::MsMs121690Specdb::MsMs121691Specdb::MsMs3604649Specdb::MsMs3604650Specdb::MsMs3604651Specdb::MsMs3604652Specdb::MsMs3604653Specdb::MsMs3604654Lima beanType 1specificPhaseolus lunatus3884pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.phytoalexin1223A toxin made by a plant that acts against an organism attacking it.