1.0 2010-04-08 22:07:53 UTC 2025-11-18 23:06:08 UTC FDB008010 2,10-Di-(gamma,gamma-dimethylallyl)-glycinol 2,10-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. C25H28O5 408.4868 408.193674006 (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)=C1 InChI=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/s1 ZAAKSBRPXNODLV-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. 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 logp 4.40 ALOGPS logs -4.76 ALOGPS solubility 7.06e-03 g/l ALOGPS logp 5.17 ChemAxon pka_strongest_acidic 8.91 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (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 ChemAxon average_mass 408.4868 ChemAxon mono_mass 408.193674006 ChemAxon smiles [H][C@@]12OC3=C(C=CC(O)=C3CC=C(C)C)[C@]1(O)COC1=C2C=C(CC=C(C)C)C(O)=C1 ChemAxon formula C25H28O5 ChemAxon inchi InChI=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/s1 ChemAxon inchikey ZAAKSBRPXNODLV-LOSJGSFVSA-N ChemAxon polar_surface_area 79.15 ChemAxon refractivity 118.15 ChemAxon polarizability 46.11 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 64518 Specdb::MsMs 64519 Specdb::MsMs 64520 Specdb::MsMs 121689 Specdb::MsMs 121690 Specdb::MsMs 121691 Specdb::MsMs 3604649 Specdb::MsMs 3604650 Specdb::MsMs 3604651 Specdb::MsMs 3604652 Specdb::MsMs 3604653 Specdb::MsMs 3604654 Lima bean Type 1 specific Phaseolus lunatus 3884 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.