1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:11 UTC FDB020607 Acrimarine N Alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisi) x Dancy tangerine (Citrus tangerina)]. Acrimarine N is found in citrus. Acrimarine N C32H31NO8 557.5904 557.204966973 1-hydroxy-3,5,6-trimethoxy-2-[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbut-2-en-1-yl]-10-methyl-9,10-dihydroacridin-9-one 1-hydroxy-3,5,6-trimethoxy-2-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-en-1-yl]-10-methylacridin-9-one COC1=C(OC)C2=C(C=C1)C(=O)C1=C(O)C(C(C=C(C)C)C3=C(OC)C=C4OC(=O)C=CC4=C3)=C(OC)C=C1N2C InChI=1S/C32H31NO8/c1-16(2)12-20(19-13-17-8-11-26(34)41-23(17)15-24(19)38-5)27-25(39-6)14-21-28(31(27)36)30(35)18-9-10-22(37-4)32(40-7)29(18)33(21)3/h8-15,20,36H,1-7H3 DRQKNTLMXYUGTO-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-benzopyrans 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Azacyclic compounds Coumarins and derivatives Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Lactones Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyranones and derivatives Pyridines and derivatives Vinylogous acids Vinylogous amides 1-benzopyran 1-hydroxy-4-unsubstituted benzenoid Acridone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzopyran Coumarin Dihydroquinoline Dihydroquinolone Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyran Pyranone Pyridine Vinylogous acid Vinylogous amide logp 4.58 ALOGPS logs -5.46 ALOGPS solubility 1.93e-03 g/l ALOGPS logp 5.8 ChemAxon pka_strongest_acidic 9.79 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 1-hydroxy-3,5,6-trimethoxy-2-[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbut-2-en-1-yl]-10-methyl-9,10-dihydroacridin-9-one ChemAxon average_mass 557.5904 ChemAxon mono_mass 557.204966973 ChemAxon smiles COC1=C(OC)C2=C(C=C1)C(=O)C1=C(O)C(C(C=C(C)C)C3=C(OC)C=C4OC(=O)C=CC4=C3)=C(OC)C=C1N2C ChemAxon formula C32H31NO8 ChemAxon inchi InChI=1S/C32H31NO8/c1-16(2)12-20(19-13-17-8-11-26(34)41-23(17)15-24(19)38-5)27-25(39-6)14-21-28(31(27)36)30(35)18-9-10-22(37-4)32(40-7)29(18)33(21)3/h8-15,20,36H,1-7H3 ChemAxon inchikey DRQKNTLMXYUGTO-UHFFFAOYSA-N ChemAxon polar_surface_area 103.76 ChemAxon refractivity 156.17 ChemAxon polarizability 59.53 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16013 Specdb::CMs 46967 Specdb::CMs 281943 Specdb::CMs 340790 Specdb::MsMs 301468 Specdb::MsMs 301469 Specdb::MsMs 301470 Specdb::MsMs 343993 Specdb::MsMs 343994 Specdb::MsMs 343995 Specdb::MsMs 2408246 Specdb::MsMs 2408247 Specdb::MsMs 2408248 Specdb::MsMs 2553709 Specdb::MsMs 2553710 Specdb::MsMs 2553711 HMDB40791 #<Reference:0x000055ce32c39d70> Citrus Unknown generic