1.0 2010-04-08 22:09:43 UTC 2019-11-26 03:05:05 UTC FDB011577 20-Hydroxyrutacridone epoxide Alkaloid from the roots and callus tissue cultures of Ruta graveolens (rue). 20-Hydroxyrutacridone epoxide is found in herbs and spices. 20-Hydroxyrutacridone epoxide C19H17NO5 339.342 339.110672659 5-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-11-methyl-1H,2H,6H,11H-furo[2,3-c]acridin-6-one 5-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-11-methyl-1H,2H-furo[2,3-c]acridin-6-one 80565-10-2 CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C1(CO)CO1)C=C2O InChI=1S/C19H17NO5/c1-20-12-5-3-2-4-10(12)18(23)16-13(22)7-14-11(17(16)20)6-15(25-14)19(8-21)9-24-19/h2-5,7,15,21-22H,6,8-9H2,1H3 OJJHKXKXZMBCHJ-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 Primary alcohols Pyridines and derivatives 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 Primary alcohol Pyridine Vinylogous acid Vinylogous amide logp 1.87 ALOGPS logs -2.92 ALOGPS solubility 4.10e-01 g/l ALOGPS logp 2.49 ChemAxon pka_strongest_acidic 10.28 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-11-methyl-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(C1)C1(CO)CO1)C=C2O ChemAxon formula C19H17NO5 ChemAxon inchi InChI=1S/C19H17NO5/c1-20-12-5-3-2-4-10(12)18(23)16-13(22)7-14-11(17(16)20)6-15(25-14)19(8-21)9-24-19/h2-5,7,15,21-22H,6,8-9H2,1H3 ChemAxon inchikey OJJHKXKXZMBCHJ-UHFFFAOYSA-N ChemAxon polar_surface_area 82.53 ChemAxon refractivity 90.31 ChemAxon polarizability 34.71 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22013 Specdb::CMs 43342 Specdb::CMs 134927 Specdb::CMs 142661 Specdb::MsMs 105351 Specdb::MsMs 105352 Specdb::MsMs 105353 Specdb::MsMs 171825 Specdb::MsMs 171826 Specdb::MsMs 171827 Specdb::MsMs 2471721 Specdb::MsMs 2471722 Specdb::MsMs 2471723 Specdb::MsMs 2494244 Specdb::MsMs 2494245 Specdb::MsMs 2494246 HMDB33521 #<Reference:0x000055ce31a6b9b8> Herbs and Spices Unknown generic