1.0 2010-04-08 22:10:03 UTC 2019-11-26 03:06:25 UTC FDB012218 Demethylvestitol Isolated from Lablab niger (hyacinth bean) and Phaseolus vulgaris (kidney bean). Demethylvestitol is found in many foods, some of which are green bean, scarlet bean, common bean, and pulses. 3,4-Dihydro-3-(2,4-dihydroxyphenyl)-7-hydroxy-2H-1-benzopyran 4-(3,4-Dihydro-7-hydroxy-2H-1-benzopyran-4-yl)-1,3-benzenediol, 9CI 7,2',4'-Trihydroxyisoflavan Arduan Arduan (TN) Demethylvestitol Pipecurium bromide Pipecuronio bromuro Pipecuronium Pipecuronium bromide Pipecuronium bromide (usan/inn) Pipecuronium bromide [usan:ban:inn] Pipecuronium, dibromide C15H14O4 258.2693 258.089208936 4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzene-1,3-diol demethylvestitol 65332-45-8 OC1=CC(O)=C(C=C1)C1COC2=C(C1)C=CC(O)=C2 InChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2 CJZBXHPHEBCWLV-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton. Isoflavanols Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Benzene and substituted derivatives Hydrocarbon derivatives Hydroxyisoflavonoids Oxacyclic compounds Resorcinols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Hydroxyisoflavonoid Isoflavanol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Resorcinol Isoflavans logp 2.16 ALOGPS logs -3.47 ALOGPS solubility 8.85e-02 g/l ALOGPS logp 2.89 ChemAxon pka_strongest_acidic 9.33 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzene-1,3-diol ChemAxon average_mass 258.2693 ChemAxon mono_mass 258.089208936 ChemAxon smiles OC1=CC(O)=C(C=C1)C1COC2=C(C1)C=CC(O)=C2 ChemAxon formula C15H14O4 ChemAxon inchi InChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2 ChemAxon inchikey CJZBXHPHEBCWLV-UHFFFAOYSA-N ChemAxon polar_surface_area 69.92 ChemAxon refractivity 70.94 ChemAxon polarizability 27.16 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23419 Specdb::CMs 43624 Specdb::CMs 136632 Specdb::CMs 144366 Specdb::MsMs 11765 Specdb::MsMs 11766 Specdb::MsMs 11767 Specdb::MsMs 18437 Specdb::MsMs 18438 Specdb::MsMs 18439 Specdb::MsMs 2273772 Specdb::MsMs 2273773 Specdb::MsMs 2273774 Specdb::MsMs 3091196 Specdb::MsMs 3091197 Specdb::MsMs 3091198 HMDB33986 #<Reference:0x000055ce3272eb00> Common bean Type 1 specific Phaseolus vulgaris 3885 Green bean Type 1 specific Phaseolus vulgaris 3885 Pulses Unknown generic Scarlet bean Type 1 specific Phaseolus coccineus 3886 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885 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.