1.0 2010-04-08 22:15:21 UTC 2019-11-26 03:19:37 UTC FDB020919 Marshmine Alkaloid from roots of Marsh grapefruit (Citrus paradisi) (Rutaceae). Marshmine is found in citrus. (-)-Marshmine 1,5-Dihydroxy-4-(2-hydroxy-3-methyl-3-butenyl)-3-methoxy-10-methylacridone Marshmine C20H21NO5 355.3844 355.141972787 1,5-dihydroxy-4-(2-hydroxy-3-methylbut-3-en-1-yl)-3-methoxy-10-methyl-9,10-dihydroacridin-9-one 1,5-dihydroxy-4-(2-hydroxy-3-methylbut-3-en-1-yl)-3-methoxy-10-methylacridin-9-one 160927-88-8 COC1=C(CC(O)C(C)=C)C2=C(C(O)=C1)C(=O)C1=C(N2C)C(O)=CC=C1 InChI=1S/C20H21NO5/c1-10(2)14(23)8-12-16(26-4)9-15(24)17-19(12)21(3)18-11(20(17)25)6-5-7-13(18)22/h5-7,9,14,22-24H,1,8H2,2-4H3 DBEWENVYSYATOB-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 8-hydroxyquinolines Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Secondary alcohols Vinylogous acids Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 8-hydroxyquinoline Acridone Alcohol 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 Secondary alcohol Vinylogous acid Vinylogous amide logp 2.23 ALOGPS logs -3.01 ALOGPS solubility 3.48e-01 g/l ALOGPS logp 3.56 ChemAxon pka_strongest_acidic 9.14 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 1,5-dihydroxy-4-(2-hydroxy-3-methylbut-3-en-1-yl)-3-methoxy-10-methyl-9,10-dihydroacridin-9-one ChemAxon average_mass 355.3844 ChemAxon mono_mass 355.141972787 ChemAxon smiles COC1=C(CC(O)C(C)=C)C2=C(C(O)=C1)C(=O)C1=C(N2C)C(O)=CC=C1 ChemAxon formula C20H21NO5 ChemAxon inchi InChI=1S/C20H21NO5/c1-10(2)14(23)8-12-16(26-4)9-15(24)17-19(12)21(3)18-11(20(17)25)6-5-7-13(18)22/h5-7,9,14,22-24H,1,8H2,2-4H3 ChemAxon inchikey DBEWENVYSYATOB-UHFFFAOYSA-N ChemAxon polar_surface_area 90.23 ChemAxon refractivity 99.07 ChemAxon polarizability 37.61 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 301480 Specdb::MsMs 301481 Specdb::MsMs 301482 Specdb::MsMs 344011 Specdb::MsMs 344012 Specdb::MsMs 344013 Specdb::MsMs 2377714 Specdb::MsMs 2377715 Specdb::MsMs 2377716 Specdb::MsMs 2561883 Specdb::MsMs 2561884 Specdb::MsMs 2561885 Specdb::CMs 16017 Specdb::CMs 47083 Specdb::CMs 163936 HMDB41046 #<Reference:0x000055ce30fadbc0> Citrus Unknown generic