1.0 2010-04-08 22:13:26 UTC 2019-11-26 03:15:31 UTC FDB017990 Acrimarine H Alkaloid from roots of Citrus subspecies Acrimarine H is found in citrus. Acrimarine H C30H27NO7 513.5379 513.178752223 1,5-dihydroxy-3-methoxy-2-[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbut-2-en-1-yl]-10-methyl-9,10-dihydroacridin-9-one 1,5-dihydroxy-3-methoxy-2-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-en-1-yl]-10-methylacridin-9-one 132185-44-5 COC1=CC2=C(C=CC(=O)O2)C=C1C(C=C(C)C)C1=C(O)C2=C(C=C1OC)N(C)C1=C(C=CC=C1O)C2=O InChI=1S/C30H27NO7/c1-15(2)11-19(18-12-16-9-10-25(33)38-22(16)14-23(18)36-4)26-24(37-5)13-20-27(30(26)35)29(34)17-7-6-8-21(32)28(17)31(20)3/h6-14,19,32,35H,1-5H3 LUTVFOXEXBZKQE-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-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 8-hydroxyquinolines 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-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 8-hydroxyquinoline 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 4.91 ALOGPS logs -5.21 ALOGPS solubility 3.19e-03 g/l ALOGPS logp 5.81 ChemAxon pka_strongest_acidic 9.08 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 1,5-dihydroxy-3-methoxy-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 513.5379 ChemAxon mono_mass 513.178752223 ChemAxon smiles COC1=CC2=C(C=CC(=O)O2)C=C1C(C=C(C)C)C1=C(O)C2=C(C=C1OC)N(C)C1=C(C=CC=C1O)C2=O ChemAxon formula C30H27NO7 ChemAxon inchi InChI=1S/C30H27NO7/c1-15(2)11-19(18-12-16-9-10-25(33)38-22(16)14-23(18)36-4)26-24(37-5)13-20-27(30(26)35)29(34)17-7-6-8-21(32)28(17)31(20)3/h6-14,19,32,35H,1-5H3 ChemAxon inchikey LUTVFOXEXBZKQE-UHFFFAOYSA-N ChemAxon polar_surface_area 105.53 ChemAxon refractivity 145.22 ChemAxon polarizability 54.4 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24031 Specdb::CMs 45935 Specdb::MsMs 53736 Specdb::MsMs 53737 Specdb::MsMs 53738 Specdb::MsMs 137979 Specdb::MsMs 137980 Specdb::MsMs 137981 Specdb::MsMs 2390866 Specdb::MsMs 2390867 Specdb::MsMs 2390868 Specdb::MsMs 2574895 Specdb::MsMs 2574896 Specdb::MsMs 2574897 HMDB38599 #<Reference:0x000055ce30aaec50> Citrus Unknown generic