1.0 2010-04-08 22:11:04 UTC 2019-11-26 03:09:29 UTC FDB014080 Gingerenone B Constituent of Zingiber officinale (ginger). Gingerenone B is found in herbs and spices and ginger. 7-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one Gingerenone B C22H26O6 386.4382 386.172938564 (4E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one (4E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one 128700-98-1 COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C(OC)=C2)=CC=C1O InChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)8-10-17(23)7-5-4-6-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+ BGYDJLLXKGVQBP-FNORWQNLSA-N belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. Linear diarylheptanoids Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Dimethoxybenzenes Enones Hydrocarbon derivatives Ketones Organic oxides Phenoxy compounds Shogaols 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Dimethoxybenzene Enone Ether Hydrocarbon derivative Ketone Linear 1,7-diphenylheptane skeleton M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Shogaol logp 4.14 ALOGPS logs -5.07 ALOGPS solubility 3.28e-03 g/l ALOGPS logp 4.47 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (4E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one ChemAxon average_mass 386.4382 ChemAxon mono_mass 386.172938564 ChemAxon smiles COC1=CC(CCC(=O)\C=C\CCC2=CC(OC)=C(O)C(OC)=C2)=CC=C1O ChemAxon formula C22H26O6 ChemAxon inchi InChI=1S/C22H26O6/c1-26-19-12-15(9-11-18(19)24)8-10-17(23)7-5-4-6-16-13-20(27-2)22(25)21(14-16)28-3/h5,7,9,11-14,24-25H,4,6,8,10H2,1-3H3/b7-5+ ChemAxon inchikey BGYDJLLXKGVQBP-FNORWQNLSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 108.49 ChemAxon polarizability 42.53 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22453 Specdb::CMs 44378 Specdb::CMs 131228 Specdb::CMs 138962 Specdb::MsMs 60201 Specdb::MsMs 60202 Specdb::MsMs 60203 Specdb::MsMs 116496 Specdb::MsMs 116497 Specdb::MsMs 116498 Specdb::MsMs 2701084 Specdb::MsMs 2701085 Specdb::MsMs 2701086 Specdb::MsMs 3007139 Specdb::MsMs 3007140 Specdb::MsMs 3007141 HMDB35405 #<Reference:0x000055ce3005d3a0> Ginger Type 1 specific Zingiber officinale 94328 0.47 0.47 0.47 mg/100 g Herbs and Spices Unknown generic 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.