1.0 2010-04-08 22:13:24 UTC 2019-11-26 03:15:28 UTC FDB017941 Gravacridonediolacetate Alkaloid from Ruta graveolens (rue). Gravacridonediolacetate is found in herbs and spices. Gravacridonediolacetate C21H21NO6 383.3945 383.136887409 2-hydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-2-yl}propyl acetate 2-hydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H-furo[2,3-c]acridin-2-yl}propyl acetate 136591-55-4 CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)(O)COC(C)=O)C=C2O InChI=1S/C21H21NO6/c1-11(23)27-10-21(2,26)17-8-13-16(28-17)9-15(24)18-19(13)22(3)14-7-5-4-6-12(14)20(18)25/h4-7,9,17,24,26H,8,10H2,1-3H3 HPCOINMYMUXGLS-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 Carbonyl compounds Carboxylic acid esters Coumarans Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyridines and derivatives Tertiary alcohols Vinylogous acids Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid Acridone Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Coumaran Dihydroquinoline Dihydroquinolone Ether Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyridine Tertiary alcohol Vinylogous acid Vinylogous amide logp 2.47 ALOGPS logs -3.42 ALOGPS solubility 1.45e-01 g/l ALOGPS melting_point Mp 221-223° logp 2.81 ChemAxon pka_strongest_acidic 10.28 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-hydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-2-yl}propyl acetate ChemAxon average_mass 383.3945 ChemAxon mono_mass 383.136887409 ChemAxon smiles CN1C2=CC=CC=C2C(=O)C2=C1C1=C(OC(C1)C(C)(O)COC(C)=O)C=C2O ChemAxon formula C21H21NO6 ChemAxon inchi InChI=1S/C21H21NO6/c1-11(23)27-10-21(2,26)17-8-13-16(28-17)9-15(24)18-19(13)22(3)14-7-5-4-6-12(14)20(18)25/h4-7,9,17,24,26H,8,10H2,1-3H3 ChemAxon inchikey HPCOINMYMUXGLS-UHFFFAOYSA-N ChemAxon polar_surface_area 96.3 ChemAxon refractivity 101.43 ChemAxon polarizability 39.98 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9794 Specdb::CMs 45908 Specdb::CMs 146030 Specdb::MsMs 88290 Specdb::MsMs 88291 Specdb::MsMs 88292 Specdb::MsMs 150987 Specdb::MsMs 150988 Specdb::MsMs 150989 Specdb::MsMs 2327439 Specdb::MsMs 2327440 Specdb::MsMs 2327441 Specdb::MsMs 2634404 Specdb::MsMs 2634405 Specdb::MsMs 2634406 HMDB38554 #<Reference:0x000055ce31a01db0> Herbs and Spices Unknown generic