1.0 2010-04-08 22:12:44 UTC 2019-11-26 03:13:59 UTC FDB016941 Citbrasine Alkaloid from the root bark of Citrus sinensis variety brasiliensis (navel orange). Citbrasine is found in citrus. 1,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridone Citbrasine C17H17NO6 331.32 331.105587281 1,5-dihydroxy-2,3,4-trimethoxy-10-methyl-9,10-dihydroacridin-9-one 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one 86680-34-4 COC1=C(O)C2=C(N(C)C3=C(C=CC=C3O)C2=O)C(OC)=C1OC InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3 QYPQTPVQPNLXHV-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 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 Pyridine Vinylogous acid Vinylogous amide logp 2.58 ALOGPS logs -2.87 ALOGPS solubility 4.51e-01 g/l ALOGPS melting_point Mp 154-156° logp 2.69 ChemAxon pka_strongest_acidic 9.14 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 1,5-dihydroxy-2,3,4-trimethoxy-10-methyl-9,10-dihydroacridin-9-one ChemAxon average_mass 331.32 ChemAxon mono_mass 331.105587281 ChemAxon smiles COC1=C(O)C2=C(N(C)C3=C(C=CC=C3O)C2=O)C(OC)=C1OC ChemAxon formula C17H17NO6 ChemAxon inchi InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3 ChemAxon inchikey QYPQTPVQPNLXHV-UHFFFAOYSA-N ChemAxon polar_surface_area 88.46 ChemAxon refractivity 87.31 ChemAxon polarizability 33.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20236 Specdb::CMs 45555 Specdb::CMs 167987 Specdb::MsMs 96333 Specdb::MsMs 96334 Specdb::MsMs 96335 Specdb::MsMs 160791 Specdb::MsMs 160792 Specdb::MsMs 160793 Specdb::MsMs 2758737 Specdb::MsMs 2758738 Specdb::MsMs 2758739 Specdb::MsMs 2950770 Specdb::MsMs 2950771 Specdb::MsMs 2950772 HMDB37797 #<Reference:0x000055ce32116d30> Citrus Unknown generic