1.0 2010-04-08 22:10:08 UTC 2019-11-26 03:06:39 UTC FDB012371 Glycinol Constituent of soybean seedlings (Glycine max) and kudzu (Pueraria thunbergiana). Glycinol is found in many foods, some of which are scarlet bean, soy bean, gram bean, and pulses. (-)-Glycinol (6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpan (6aS,11aS)-3,6a,9-Trihydroxypterocarpan 3,6,9-trihydroxypterocarpan 6AS11AS-36A9-TRIHYDROXYPTEROCARPAN 6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol, 9CI Glycinol C15H12O5 272.2528 272.068473494 8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10,14-triol glycinol (pterocarpan) 69393-95-9 OC1=CC2=C(C=C1)C1(O)COC3=C(C=CC(O)=C3)C1O2 InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2 QMXOFBXZEKTJIK-UHFFFAOYSA-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. Pterocarpans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Furanoisoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Benzofurans Coumarans Hydrocarbon derivatives Isoflavanols Oxacyclic compounds Polyols Tertiary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Pterocarpan Tertiary alcohol a small molecule logp 1.57 ALOGPS logs -2.51 ALOGPS solubility 8.45e-01 g/l ALOGPS logp 1.71 ChemAxon pka_strongest_acidic 9.1 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10,14-triol ChemAxon average_mass 272.2528 ChemAxon mono_mass 272.068473494 ChemAxon smiles OC1=CC2=C(C=C1)C1(O)COC3=C(C=CC(O)=C3)C1O2 ChemAxon formula C15H12O5 ChemAxon inchi InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2 ChemAxon inchikey QMXOFBXZEKTJIK-UHFFFAOYSA-N ChemAxon polar_surface_area 79.15 ChemAxon refractivity 69.67 ChemAxon polarizability 26.93 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24623 Specdb::CMs 43711 Specdb::CMs 173594 Specdb::MsMs 21236 Specdb::MsMs 21237 Specdb::MsMs 21238 Specdb::MsMs 22787 Specdb::MsMs 22788 Specdb::MsMs 22789 Specdb::MsMs 2736110 Specdb::MsMs 2736111 Specdb::MsMs 2736112 Specdb::MsMs 2968860 Specdb::MsMs 2968861 Specdb::MsMs 2968862 HMDB34105 15649 #<Reference:0x000055ac3f4e7370> Gram bean Type 1 specific Vigna mungo 3915 Pulses Unknown generic Scarlet bean Type 1 specific Phaseolus coccineus 3886 Soy bean Type 1 specific Glycine max 3847 fungicide 940 A substance used to destroy fungal pests. pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. phytoalexin 1223 A toxin made by a plant that acts against an organism attacking it.