1.0 2010-04-08 22:15:25 UTC 2019-11-26 03:19:47 UTC FDB021027 Marshdine Alkaloid from roots of marsh grapefruit Citrus paradisi (Rutaceae). Marshdine is found in citrus. 1-Hydroxy-3-methoxy-10-methyl-5,6-methylenedioxyacridone 2-Hydroxy-2-(1-methoxy-1-methylethyl)-5-methylcyclohexanone Marshdine C16H13NO5 299.2781 299.079372531 7-hydroxy-9-methoxy-11-methyl-2H,6H,11H-[1,3]dioxolo[4,5-c]acridin-6-one 7-hydroxy-9-methoxy-11-methyl-2H-[1,3]dioxolo[4,5-c]acridin-6-one 160927-87-7 COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C2=C(OCO2)C=C1 InChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3 HIDPWENUZOGSOF-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 Acetals Alkyl aryl ethers Anisoles Azacyclic compounds Benzodioxoles Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyridines and derivatives Vinylogous acids Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Acridone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Dihydroquinoline Dihydroquinolone Ether Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyridine Vinylogous acid Vinylogous amide logp 2.04 ALOGPS logs -2.66 ALOGPS solubility 6.62e-01 g/l ALOGPS melting_point Mp 210-213° logp 2.93 ChemAxon pka_strongest_acidic 10.03 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 7-hydroxy-9-methoxy-11-methyl-2H,6H,11H-[1,3]dioxolo[4,5-c]acridin-6-one ChemAxon average_mass 299.2781 ChemAxon mono_mass 299.079372531 ChemAxon smiles COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C2=C(OCO2)C=C1 ChemAxon formula C16H13NO5 ChemAxon inchi InChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3 ChemAxon inchikey HIDPWENUZOGSOF-UHFFFAOYSA-N ChemAxon polar_surface_area 68.23 ChemAxon refractivity 78.17 ChemAxon polarizability 30.1 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17753 Specdb::CMs 47142 Specdb::CMs 145825 Specdb::MsMs 305332 Specdb::MsMs 305333 Specdb::MsMs 305334 Specdb::MsMs 348724 Specdb::MsMs 348725 Specdb::MsMs 348726 Specdb::MsMs 2312291 Specdb::MsMs 2312292 Specdb::MsMs 2312293 Specdb::MsMs 2652902 Specdb::MsMs 2652903 Specdb::MsMs 2652904 HMDB41141 #<Reference:0x000055ce33217828> Citrus Unknown generic