1.0 2010-04-08 22:14:48 UTC 2019-11-26 03:18:29 UTC FDB020114 Pummeline Alkaloid from roots of several hybrid seedlings resulting from a cross of Pummelo (Citrus grandis cv. May Pummelo x Marsh grapefruit (Citrus paradisi) (Rutaceae)). Pummeline is found in citrus. 1,6-Dihydroxy-3-methoxy-10-methylacridone Pummeline C15H13NO4 271.268 271.084457909 1,6-dihydroxy-3-methoxy-10-methyl-9,10-dihydroacridin-9-one 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one 145940-36-9 COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1)N2C InChI=1S/C15H13NO4/c1-16-11-5-8(17)3-4-10(11)15(19)14-12(16)6-9(20-2)7-13(14)18/h3-7,17-18H,1-2H3 ULFQWNWPHHCZAJ-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 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 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 2.34 ALOGPS logs -2.68 ALOGPS solubility 5.67e-01 g/l ALOGPS melting_point Mp 235-240° logp 3.01 ChemAxon pka_strongest_acidic 7.94 ChemAxon pka_strongest_basic -2.2 ChemAxon iupac 1,6-dihydroxy-3-methoxy-10-methyl-9,10-dihydroacridin-9-one ChemAxon average_mass 271.268 ChemAxon mono_mass 271.084457909 ChemAxon smiles COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1)N2C ChemAxon formula C15H13NO4 ChemAxon inchi InChI=1S/C15H13NO4/c1-16-11-5-8(17)3-4-10(11)15(19)14-12(16)6-9(20-2)7-13(14)18/h3-7,17-18H,1-2H3 ChemAxon inchikey ULFQWNWPHHCZAJ-UHFFFAOYSA-N ChemAxon polar_surface_area 70 ChemAxon refractivity 74.38 ChemAxon polarizability 27.75 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12137 Specdb::CMs 46758 Specdb::CMs 173278 Specdb::MsMs 7235 Specdb::MsMs 7236 Specdb::MsMs 7237 Specdb::MsMs 13907 Specdb::MsMs 13908 Specdb::MsMs 13909 Specdb::MsMs 2810714 Specdb::MsMs 2810715 Specdb::MsMs 2810716 Specdb::MsMs 2895260 Specdb::MsMs 2895261 Specdb::MsMs 2895262 HMDB40382 #<Reference:0x000055ce2ea302a8> Citrus Unknown generic