1.0 2010-04-08 22:09:35 UTC 2019-11-26 03:04:50 UTC FDB011339 Moracin H From Morus alba (white mulberry) infected with Fusarium solani. Moracin H is found in mulberry and fruits. Moracin H C20H18O5 338.3539 338.115423686 5-{7-methoxy-12-methyl-3,10-dioxatricyclo[7.5.0.0²,⁶]tetradeca-1(9),2(6),4,7,12-pentaen-4-yl}benzene-1,3-diol 5-{7-methoxy-12-methyl-3,10-dioxatricyclo[7.5.0.0²,⁶]tetradeca-1(9),2(6),4,7,12-pentaen-4-yl}benzene-1,3-diol 73338-87-1 COC1=CC2=C(CC=C(C)CO2)C2=C1C=C(O2)C1=CC(O)=CC(O)=C1 InChI=1S/C20H18O5/c1-11-3-4-15-19(24-10-11)9-18(23-2)16-8-17(25-20(15)16)12-5-13(21)7-14(22)6-12/h3,5-9,21-22H,4,10H2,1-2H3 QRLJHLHVDMQXPO-UHFFFAOYSA-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 7-prenylated 2-arybenzofurans Alkyl aryl ethers Anisoles Benzene and substituted derivatives Benzoxepines Furans Heteroaromatic compounds Hydrocarbon derivatives Oxacyclic compounds Resorcinols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylbenzofuran flavonoid 2-phenylbenzofuran 7-prenylated 2-arybenzofuran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzoxepine Ether Furan Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenylbenzofuran Resorcinol logp 3.71 ALOGPS logs -3.64 ALOGPS solubility 7.74e-02 g/l ALOGPS melting_point Mp 191-192° logp 3.74 ChemAxon pka_strongest_acidic 8.82 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 5-{7-methoxy-12-methyl-3,10-dioxatricyclo[7.5.0.0²,⁶]tetradeca-1(9),2(6),4,7,12-pentaen-4-yl}benzene-1,3-diol ChemAxon average_mass 338.3539 ChemAxon mono_mass 338.115423686 ChemAxon smiles COC1=CC2=C(CC=C(C)CO2)C2=C1C=C(O2)C1=CC(O)=CC(O)=C1 ChemAxon formula C20H18O5 ChemAxon inchi InChI=1S/C20H18O5/c1-11-3-4-15-19(24-10-11)9-18(23-2)16-8-17(25-20(15)16)12-5-13(21)7-14(22)6-12/h3,5-9,21-22H,4,10H2,1-2H3 ChemAxon inchikey QRLJHLHVDMQXPO-UHFFFAOYSA-N ChemAxon polar_surface_area 72.06 ChemAxon refractivity 94.56 ChemAxon polarizability 36.81 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26276 Specdb::CMs 43229 Specdb::CMs 137428 Specdb::CMs 145162 Specdb::MsMs 7844 Specdb::MsMs 7845 Specdb::MsMs 7846 Specdb::MsMs 14516 Specdb::MsMs 14517 Specdb::MsMs 14518 Specdb::MsMs 3047627 Specdb::MsMs 3047628 Specdb::MsMs 3047629 Specdb::MsMs 3095512 Specdb::MsMs 3095513 Specdb::MsMs 3095514 HMDB33315 #<Reference:0x000055ce3262de18> Fruits Unknown generic Mulberry Type 1 specific Morus 3497