1.0 2010-04-08 22:05:17 UTC 2020-02-24 19:10:27 UTC FDB002222 Citrusinine II Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange). Citrusinine II is found in sweet orange and citrus. 1,3,5-Trihydroxy-4-methoxy-10-methylacridone Citrusinine II C15H13NO5 287.2674 287.079372531 1,3,5-trihydroxy-4-methoxy-10-methyl-9,10-dihydroacridin-9-one 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one 86680-33-3 COC1=C(O)C=C(O)C2=C1N(C)C1=C(C=CC=C1O)C2=O InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3 QEGXAAUCDUFHPJ-UHFFFAOYSA-N belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. Acridones Organic compounds Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 8-hydroxyquinolines Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Pyridines and derivatives Vinylogous acids Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 8-hydroxyquinoline Acridone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Dihydroquinoline Dihydroquinolone Ether Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Pyridine Vinylogous acid Vinylogous amide logp 2.41 ALOGPS logs -2.59 ALOGPS solubility 7.36e-01 g/l ALOGPS melting_point Mp 244-246° logp 2.7 ChemAxon pka_strongest_acidic 8.47 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 1,3,5-trihydroxy-4-methoxy-10-methyl-9,10-dihydroacridin-9-one ChemAxon average_mass 287.2674 ChemAxon mono_mass 287.079372531 ChemAxon smiles COC1=C(O)C=C(O)C2=C1N(C)C1=C(C=CC=C1O)C2=O ChemAxon formula C15H13NO5 ChemAxon inchi InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3 ChemAxon inchikey QEGXAAUCDUFHPJ-UHFFFAOYSA-N ChemAxon polar_surface_area 90.23 ChemAxon refractivity 76.36 ChemAxon polarizability 28.04 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15244 Specdb::CMs 41888 Specdb::CMs 153627 Specdb::MsMs 78429 Specdb::MsMs 78430 Specdb::MsMs 78431 Specdb::MsMs 138777 Specdb::MsMs 138778 Specdb::MsMs 138779 Specdb::MsMs 2369511 Specdb::MsMs 2369512 Specdb::MsMs 2369513 Specdb::MsMs 2568780 Specdb::MsMs 2568781 Specdb::MsMs 2568782 HMDB30373 #<Reference:0x000055ce320e1720> Citrus Unknown generic Sweet orange Type 1 specific Citrus sinensis 2711 4.0 4.0 4.0 mg/100 g