1.0 2010-04-08 22:04:56 UTC 2019-11-26 02:56:25 UTC FDB001381 Albafuran A Constituent of white mulberry (Morus alba). Albafuran A is found in fruits. 2-[3,5-Dihydroxy-2-(3,7-dimethyl-2,6-octadienyl)phenyl]-6-hydroxybenzofuran 4-((2e)-3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol 4-(3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol, 9CI C24H26O4 378.4608 378.18310932 4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol albafuran A 84323-14-8 CC(C)=CCC\C(C)=C\CC1=C(C=C(O)C=C1O)C1=CC2=C(O1)C=C(O)C=C2 InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+ KGOOVUKZICPAIZ-FRKPEAEDSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-phenylbenzofurans Aromatic monoterpenoids Benzene and substituted derivatives Bicyclic monoterpenoids Furans Heteroaromatic compounds Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Resorcinols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylbenzofuran flavonoid 2-phenylbenzofuran Aromatic heteropolycyclic compound Aromatic monoterpenoid Benzenoid Benzofuran Bicyclic monoterpenoid Furan Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Monoterpenoid Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenylbenzofuran Resorcinol 1-benzofurans 2-Arylbenzofurans polyphenol logp 5.79 ALOGPS logs -4.26 ALOGPS solubility 2.08e-02 g/l ALOGPS melting_point Mp 150-150.5° logp 6.18 ChemAxon pka_strongest_acidic 8.56 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol ChemAxon average_mass 378.4608 ChemAxon mono_mass 378.18310932 ChemAxon smiles CC(C)=CCC\C(C)=C\CC1=C(C=C(O)C=C1O)C1=CC2=C(O1)C=C(O)C=C2 ChemAxon formula C24H26O4 ChemAxon inchi InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+ ChemAxon inchikey KGOOVUKZICPAIZ-FRKPEAEDSA-N ChemAxon polar_surface_area 73.83 ChemAxon refractivity 113.9 ChemAxon polarizability 43.41 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19498 Specdb::CMs 41728 Specdb::CMs 170419 Specdb::MsMs 54990 Specdb::MsMs 54991 Specdb::MsMs 54992 Specdb::MsMs 114717 Specdb::MsMs 114718 Specdb::MsMs 114719 Specdb::MsMs 2753404 Specdb::MsMs 2753405 Specdb::MsMs 2753406 Specdb::MsMs 2952324 Specdb::MsMs 2952325 Specdb::MsMs 2952326 HMDB30071 #<Reference:0x000055ce32c05228> Fruits Unknown generic