1.0 2010-04-08 22:09:49 UTC 2019-11-26 03:05:23 UTC FDB011758 Mulberrofuran A Constituent of white mulberry (Morus alba). Mulberrofuran A is found in mulberry and fruits. Mulberrofuran A C25H28O4 392.4874 392.198759384 2-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-hydroxy-3-methoxyphenyl}-1-benzofuran-6-ol mulberrofuran A 68978-04-1 COC1=CC(O)=CC(C2=CC3=C(O2)C=C(O)C=C3)=C1C\C=C(/C)CCC=C(C)C InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-11-21-22(13-20(27)15-24(21)28-4)25-12-18-9-10-19(26)14-23(18)29-25/h6,8-10,12-15,26-27H,5,7,11H2,1-4H3/b17-8+ MQYYTNPXQXSQGM-CAOOACKPSA-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 2-phenylbenzofurans Alkyl aryl ethers Anisoles Aromatic monoterpenoids Bicyclic monoterpenoids Furans Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 2-arylbenzofuran flavonoid 2-phenylbenzofuran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aromatic monoterpenoid Benzenoid Benzofuran Bicyclic monoterpenoid Ether Furan Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monoterpenoid Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound Phenylbenzofuran 1-benzofurans 2-Arylbenzofurans logp 6.20 ALOGPS logs -4.52 ALOGPS solubility 1.18e-02 g/l ALOGPS logp 6.32 ChemAxon pka_strongest_acidic 8.77 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-hydroxy-3-methoxyphenyl}-1-benzofuran-6-ol ChemAxon average_mass 392.4874 ChemAxon mono_mass 392.198759384 ChemAxon smiles COC1=CC(O)=CC(C2=CC3=C(O2)C=C(O)C=C3)=C1C\C=C(/C)CCC=C(C)C ChemAxon formula C25H28O4 ChemAxon inchi InChI=1S/C25H28O4/c1-16(2)6-5-7-17(3)8-11-21-22(13-20(27)15-24(21)28-4)25-12-18-9-10-19(26)14-23(18)29-25/h6,8-10,12-15,26-27H,5,7,11H2,1-4H3/b17-8+ ChemAxon inchikey MQYYTNPXQXSQGM-CAOOACKPSA-N ChemAxon polar_surface_area 62.83 ChemAxon refractivity 118.38 ChemAxon polarizability 45.17 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18297 Specdb::CMs 43416 Specdb::CMs 157059 Specdb::MsMs 79548 Specdb::MsMs 79549 Specdb::MsMs 79550 Specdb::MsMs 140181 Specdb::MsMs 140182 Specdb::MsMs 140183 Specdb::MsMs 2280232 Specdb::MsMs 2280233 Specdb::MsMs 2280234 Specdb::MsMs 3089416 Specdb::MsMs 3089417 Specdb::MsMs 3089418 HMDB33656 #<Reference:0x000055ce316791e8> Fruits Unknown generic Mulberry Type 1 specific Morus 3497