1.0 2010-04-08 22:09:40 UTC 2025-11-18 23:28:12 UTC FDB011484 Rutagravine Alkaloid from the callus tissue of Ruta graveolens (rue). Rutagravine is found in herbs and spices. C19H17NO5 339.342 339.110672659 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),10,14,16,18-hexaen-13-one 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),10,14,16,18-hexaen-13-one 101330-60-3 CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC3C1OCC3(C)O)C=C2O InChI=1S/C19H17NO5/c1-19(23)8-24-17-14-12(25-18(17)19)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 SWALXCKAJQTSAC-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 Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyridines and derivatives Tertiary alcohols Tetrahydrofurans 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 Pyridine Tertiary alcohol Tetrahydrofuran Vinylogous acid Vinylogous amide logp 2.30 ALOGPS logs -2.50 ALOGPS solubility 1.06e+00 g/l ALOGPS melting_point Mp 209-212° logp 2.61 ChemAxon pka_strongest_acidic 9.96 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6,11-dihydroxy-6,20-dimethyl-4,8-dioxa-20-azapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),10,14,16,18-hexaen-13-one ChemAxon average_mass 339.342 ChemAxon mono_mass 339.110672659 ChemAxon smiles CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC3C1OCC3(C)O)C=C2O ChemAxon formula C19H17NO5 ChemAxon inchi InChI=1S/C19H17NO5/c1-19(23)8-24-17-14-12(25-18(17)19)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 SWALXCKAJQTSAC-UHFFFAOYSA-N ChemAxon polar_surface_area 79.23 ChemAxon refractivity 89.97 ChemAxon polarizability 34.99 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10314 Specdb::CMs 43296 Specdb::CMs 137018 Specdb::CMs 144752 Specdb::MsMs 61014 Specdb::MsMs 61015 Specdb::MsMs 61016 Specdb::MsMs 117468 Specdb::MsMs 117469 Specdb::MsMs 117470 Specdb::MsMs 2375525 Specdb::MsMs 2375526 Specdb::MsMs 2375527 Specdb::MsMs 2559870 Specdb::MsMs 2559871 Specdb::MsMs 2559872 HMDB33446 #<Reference:0x000055ce31daccf8> Herbs and Spices Unknown generic