1.0 2010-04-08 22:09:43 UTC 2018-05-28 23:30:57 UTC FDB011576 1-Hydroxyrutacridone epoxide Alkaloid from the callus tissue of Ruta graveolens (rue). 1-Hydroxyrutacridone epoxide C19H17NO5 339.342 339.110672659 1,5-dihydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1H,2H,6H,11H-furo[2,3-c]acridin-6-one 1,5-dihydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1H,2H-furo[2,3-c]acridin-6-one 101330-59-0 CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1O)C1(C)CO1)C=C2O InChI=1S/C19H17NO5/c1-19(8-24-19)18-17(23)14-12(25-18)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3 JRMIBKXNMDYCPR-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 Alkyl aryl ethers Azacyclic compounds Coumarans Dialkyl ethers Epoxides Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyridines and derivatives Secondary alcohols Vinylogous acids Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid Acridone Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Azacycle Benzenoid Coumaran Dialkyl ether Dihydroquinoline Dihydroquinolone Ether Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxirane Pyridine Secondary alcohol Vinylogous acid Vinylogous amide logp 1.89 ALOGPS logs -2.55 ALOGPS solubility 9.67e-01 g/l ALOGPS logp 2.61 ChemAxon pka_strongest_acidic 9.96 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 1,5-dihydroxy-11-methyl-2-(2-methyloxiran-2-yl)-1H,2H,6H,11H-furo[2,3-c]acridin-6-one ChemAxon average_mass 339.342 ChemAxon mono_mass 339.110672659 ChemAxon smiles CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1O)C1(C)CO1)C=C2O ChemAxon formula C19H17NO5 ChemAxon inchi InChI=1S/C19H17NO5/c1-19(8-24-19)18-17(23)14-12(25-18)7-11(21)13-15(14)20(2)10-6-4-3-5-9(10)16(13)22/h3-7,17-18,21,23H,8H2,1-2H3 ChemAxon inchikey JRMIBKXNMDYCPR-UHFFFAOYSA-N ChemAxon polar_surface_area 82.53 ChemAxon refractivity 89.97 ChemAxon polarizability 34.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18382 Specdb::CMs 43341 Specdb::CMs 131419 Specdb::CMs 139153 Specdb::MsMs 109554 Specdb::MsMs 109555 Specdb::MsMs 109556 Specdb::MsMs 177009 Specdb::MsMs 177010 Specdb::MsMs 177011 Specdb::MsMs 2721381 Specdb::MsMs 2721382 Specdb::MsMs 2721383 Specdb::MsMs 2960442 Specdb::MsMs 2960443 Specdb::MsMs 2960444 HMDB33520 #<Reference:0x000055ce31fa86d8>