1.0 2010-04-08 22:12:30 UTC 2019-11-26 03:13:27 UTC FDB016559 Albanin A Isolated from Morus alba (white mulberry) infected with Fusarium solani. Albanin A is found in fruits. 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 9CI Albanin A C20H18O6 354.3533 354.110338308 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one albanin A 73343-42-7 CC(C)=CCC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C=C(O)C=C1 InChI=1S/C20H18O6/c1-10(2)3-5-14-19(25)18-16(24)8-12(22)9-17(18)26-20(14)13-6-4-11(21)7-15(13)23/h3-4,6-9,21-24H,5H2,1-2H3 KEIIIPKLVSSAEI-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-prenylated flavones. These are flavones that features a C5-isoprenoid substituent at the 3-position. 3-prenylated flavones Organic compounds Phenylpropanoids and polyketides Flavonoids Flavones Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Chromones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives Resorcinols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-prenylated flavone 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Resorcinol Vinylogous acid Flavones and Flavonols logp 3.36 ALOGPS logs -4.20 ALOGPS solubility 2.24e-02 g/l ALOGPS melting_point Mp 220-227° logp 4.01 ChemAxon pka_strongest_acidic 6.6 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one ChemAxon average_mass 354.3533 ChemAxon mono_mass 354.110338308 ChemAxon smiles CC(C)=CCC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=C(O)C=C(O)C=C1 ChemAxon formula C20H18O6 ChemAxon inchi InChI=1S/C20H18O6/c1-10(2)3-5-14-19(25)18-16(24)8-12(22)9-17(18)26-20(14)13-6-4-11(21)7-15(13)23/h3-4,6-9,21-24H,5H2,1-2H3 ChemAxon inchikey KEIIIPKLVSSAEI-UHFFFAOYSA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 98.45 ChemAxon polarizability 36.65 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10878 Specdb::CMs 45421 Specdb::CMs 159131 Specdb::MsMs 102114 Specdb::MsMs 102115 Specdb::MsMs 102116 Specdb::MsMs 167853 Specdb::MsMs 167854 Specdb::MsMs 167855 Specdb::MsMs 2675017 Specdb::MsMs 2675018 Specdb::MsMs 2675019 Specdb::MsMs 3033269 Specdb::MsMs 3033270 Specdb::MsMs 3033271 HMDB37488 #<Reference:0x000055ce31a84878> Fruits Unknown generic