1.0 2010-04-08 22:11:06 UTC 2019-11-26 03:09:35 UTC FDB014150 6,8-Di-O-methylaverufin Production by rice inoculated with Emericella foeniculicola and from a fungal isolate SIPI-8917. 6,8-Di-O-methylaverufin is found in cereals and cereal products. 6,8-Di-O-methylaverufin Antibiotic SIPI 8917-I SIPI 8917-I C22H20O7 396.39 396.120902994 3-hydroxy-7,9-dimethoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6(11),7,9,14-hexaene-5,12-dione 3-hydroxy-7,9-dimethoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6(11),7,9,14-hexaene-5,12-dione 61470-56-2 COC1=CC2=C(C(=O)C3=C(C=C4OC5(C)CCCC(O5)C4=C3O)C2=O)C(OC)=C1 InChI=1S/C22H20O7/c1-22-6-4-5-13(28-22)18-15(29-22)9-12-17(21(18)25)20(24)16-11(19(12)23)7-10(26-2)8-14(16)27-3/h7-9,13,25H,4-6H2,1-3H3 UOWSTUZKQCORDT-UHFFFAOYSA-N belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. Anthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic heteropolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl ketones Hydrocarbon derivatives Ketals Organic oxides Oxacyclic compounds Oxanes Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid 9,10-anthraquinone Acetal Alkyl aryl ether Anisole Anthraquinone Aromatic heteropolycyclic compound Aryl ketone Ether Hydrocarbon derivative Ketal Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Vinylogous acid logp 3.02 ALOGPS logs -4.16 ALOGPS solubility 2.74e-02 g/l ALOGPS melting_point Mp 208-209° logp 3.75 ChemAxon pka_strongest_acidic 8.85 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 3-hydroxy-7,9-dimethoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2,4(13),6(11),7,9,14-hexaene-5,12-dione ChemAxon average_mass 396.39 ChemAxon mono_mass 396.120902994 ChemAxon smiles COC1=CC2=C(C(=O)C3=C(C=C4OC5(C)CCCC(O5)C4=C3O)C2=O)C(OC)=C1 ChemAxon formula C22H20O7 ChemAxon inchi InChI=1S/C22H20O7/c1-22-6-4-5-13(28-22)18-15(29-22)9-12-17(21(18)25)20(24)16-11(19(12)23)7-10(26-2)8-14(16)27-3/h7-9,13,25H,4-6H2,1-3H3 ChemAxon inchikey UOWSTUZKQCORDT-UHFFFAOYSA-N ChemAxon polar_surface_area 91.29 ChemAxon refractivity 103.8 ChemAxon polarizability 40.81 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26113 Specdb::CMs 44399 Specdb::CMs 137976 Specdb::CMs 145710 Specdb::MsMs 107796 Specdb::MsMs 107797 Specdb::MsMs 107798 Specdb::MsMs 174867 Specdb::MsMs 174868 Specdb::MsMs 174869 Specdb::MsMs 2757273 Specdb::MsMs 2757274 Specdb::MsMs 2757275 Specdb::MsMs 2947869 Specdb::MsMs 2947870 Specdb::MsMs 2947871 HMDB35465 #<Reference:0x000055ce3307e7f0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic