1.0 2010-04-08 22:15:29 UTC 2025-11-19 02:35:37 UTC FDB021116 Shinflavanone Constituent of Glycyrrhiza glabra (licorice). Shinflavanone is found in tea and herbs and spices. (2S)-4'-Hydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone Shinflavanone C25H26O4 390.4715 390.18310932 4-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-6-one 4-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-6-one 157414-03-4 CC(C)=CCC1=CC(=CC=C1O)C1CC(=O)C2=C(O1)C1=C(OC(C)(C)C=C1)C=C2 InChI=1S/C25H26O4/c1-15(2)5-6-16-13-17(7-9-20(16)26)23-14-21(27)18-8-10-22-19(24(18)28-23)11-12-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3 NEIURIYDQMKXIG-UHFFFAOYSA-N belongs to the class of organic compounds known as 3'-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 3'-position. 3'-prenylated flavanones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans 4'-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Chromones Flavanones Hydrocarbon derivatives Monohydroxyflavonoids Organic oxides Oxacyclic compounds Pyranochromenes Pyranoflavonoids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 3'-prenylated flavanone 4'-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Monohydroxyflavonoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyranochromene Pyranoflavonoid logp 5.05 ALOGPS logs -5.56 ALOGPS solubility 1.08e-03 g/l ALOGPS logp 5.42 ChemAxon pka_strongest_acidic 9.27 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 4-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-12,12-dimethyl-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8,13-tetraen-6-one ChemAxon average_mass 390.4715 ChemAxon mono_mass 390.18310932 ChemAxon smiles CC(C)=CCC1=CC(=CC=C1O)C1CC(=O)C2=C(O1)C1=C(OC(C)(C)C=C1)C=C2 ChemAxon formula C25H26O4 ChemAxon inchi InChI=1S/C25H26O4/c1-15(2)5-6-16-13-17(7-9-20(16)26)23-14-21(27)18-8-10-22-19(24(18)28-23)11-12-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3 ChemAxon inchikey NEIURIYDQMKXIG-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 115.96 ChemAxon polarizability 44.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20306 Specdb::CMs 47184 Specdb::CMs 155148 Specdb::MsMs 311239 Specdb::MsMs 311240 Specdb::MsMs 311241 Specdb::MsMs 356164 Specdb::MsMs 356165 Specdb::MsMs 356166 Specdb::MsMs 2414230 Specdb::MsMs 2414231 Specdb::MsMs 2414232 Specdb::MsMs 2551349 Specdb::MsMs 2551350 Specdb::MsMs 2551351 HMDB41217 #<Reference:0x000055ce3181dc60> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442