1.0 2010-04-08 22:13:38 UTC 2019-11-26 03:16:00 UTC FDB018309 Gancaonin E Isolated from Glycyrrhiza uralensis (Chinese licorice). Gancaonin E is found in herbs and spices. (S)-3',4',5,7-Tetrahydroxy-5',8-diprenylflavanone (S)-Gancaonin E Gancaonin E C25H28O6 424.4862 424.188588628 2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one gancaonin E 124596-89-0 CC(C)=CCC1=CC(=CC(O)=C1O)C1CC(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1 InChI=1S/C25H28O6/c1-13(2)5-7-15-9-16(10-21(29)24(15)30)22-12-20(28)23-19(27)11-18(26)17(25(23)31-22)8-6-14(3)4/h5-6,9-11,22,26-27,29-30H,7-8,12H2,1-4H3 HCBKENVWCDLQOA-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position. 8-prenylated flavanones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3'-prenylated flavanones 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Aryl alkyl ketones Benzene and substituted derivatives Catechols Chromones Flavanones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3'-prenylated flavan 3'-prenylated flavanone 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid 8-prenylated flavanone Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Catechol Chromane Chromone Ether Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Vinylogous acid Flavanones logp 4.26 ALOGPS logs -4.85 ALOGPS solubility 6.02e-03 g/l ALOGPS melting_point Mp 203-207° logp 5.99 ChemAxon pka_strongest_acidic 7.72 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 424.4862 ChemAxon mono_mass 424.188588628 ChemAxon smiles CC(C)=CCC1=CC(=CC(O)=C1O)C1CC(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1 ChemAxon formula C25H28O6 ChemAxon inchi InChI=1S/C25H28O6/c1-13(2)5-7-15-9-16(10-21(29)24(15)30)22-12-20(28)23-19(27)11-18(26)17(25(23)31-22)8-6-14(3)4/h5-6,9-11,22,26-27,29-30H,7-8,12H2,1-4H3 ChemAxon inchikey HCBKENVWCDLQOA-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 121.76 ChemAxon polarizability 46.57 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17008 Specdb::CMs 46115 Specdb::CMs 137693 Specdb::CMs 145427 Specdb::MsMs 77631 Specdb::MsMs 77632 Specdb::MsMs 77633 Specdb::MsMs 137805 Specdb::MsMs 137806 Specdb::MsMs 137807 Specdb::MsMs 2256447 Specdb::MsMs 2258163 Specdb::MsMs 2258464 Specdb::MsMs 2746399 Specdb::MsMs 2746400 Specdb::MsMs 2746401 Specdb::MsMs 2932071 Specdb::MsMs 2932072 Specdb::MsMs 2932073 HMDB38868 #<Reference:0x000055ce31f20a80> Herbs and Spices Unknown generic