1.0 2010-04-08 22:10:25 UTC 2025-11-18 23:40:20 UTC FDB012883 Citbismine F Alkaloid from Citrus paradisi (Marsh grapefruit). Citbismine F is found in citrus. Citbismine F C36H34N2O10 654.6626 654.221345318 2-[5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-1-yl]-1-hydroxy-3,5,6-trimethoxy-10-methyl-9,10-dihydroacridin-9-one 2-[5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methyl-6-oxo-1H,2H-furo[2,3-c]acridin-1-yl]-1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one COC1=C(OC)C2=C(C=C1)C(=O)C1=C(O)C(C3C(OC4=C3C3=C(C(O)=C4)C(=O)C4=C(N3C)C(O)=CC=C4)C(C)(C)O)=C(OC)C=C1N2C InChI=1S/C36H34N2O10/c1-36(2,44)35-27(25-22(48-35)14-19(40)24-30(25)38(4)28-15(32(24)42)9-8-10-18(28)39)26-21(46-6)13-17-23(33(26)43)31(41)16-11-12-20(45-5)34(47-7)29(16)37(17)3/h8-14,27,35,39-40,43-44H,1-7H3 RHEWDZDNLMBJJF-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 Coumarans Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyridines and derivatives Tertiary 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 Coumaran Dihydroquinoline Dihydroquinolone Ether Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyridine Tertiary alcohol Vinylogous acid Vinylogous amide logp 4.54 ALOGPS logs -4.18 ALOGPS solubility 4.38e-02 g/l ALOGPS melting_point Mp 330-341° (dec.) logp 5.64 ChemAxon pka_strongest_acidic 8.97 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-[5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-1-yl]-1-hydroxy-3,5,6-trimethoxy-10-methyl-9,10-dihydroacridin-9-one ChemAxon average_mass 654.6626 ChemAxon mono_mass 654.221345318 ChemAxon smiles COC1=C(OC)C2=C(C=C1)C(=O)C1=C(O)C(C3C(OC4=C3C3=C(C(O)=C4)C(=O)C4=C(N3C)C(O)=CC=C4)C(C)(C)O)=C(OC)C=C1N2C ChemAxon formula C36H34N2O10 ChemAxon inchi InChI=1S/C36H34N2O10/c1-36(2,44)35-27(25-22(48-35)14-19(40)24-30(25)38(4)28-15(32(24)42)9-8-10-18(28)39)26-21(46-6)13-17-23(33(26)43)31(41)16-11-12-20(45-5)34(47-7)29(16)37(17)3/h8-14,27,35,39-40,43-44H,1-7H3 ChemAxon inchikey RHEWDZDNLMBJJF-UHFFFAOYSA-N ChemAxon polar_surface_area 158.46 ChemAxon refractivity 176.55 ChemAxon polarizability 67.85 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48528 Specdb::MsMs 48529 Specdb::MsMs 48530 Specdb::MsMs 143913 Specdb::MsMs 143914 Specdb::MsMs 143915 Specdb::MsMs 2398743 Specdb::MsMs 2398744 Specdb::MsMs 2398745 Specdb::MsMs 2537438 Specdb::MsMs 2537439 Specdb::MsMs 2537440 Specdb::CMs 12823 Specdb::CMs 650748 Specdb::CMs 650749 Specdb::CMs 650750 Specdb::CMs 650751 Specdb::CMs 650752 Specdb::CMs 650753 Specdb::CMs 650754 Specdb::CMs 650755 Specdb::CMs 650756 Specdb::CMs 650757 Specdb::CMs 650758 Specdb::CMs 650759 Specdb::CMs 650760 Specdb::CMs 650761 Specdb::CMs 650762 Specdb::CMs 650763 Specdb::CMs 650764 Specdb::CMs 650765 Specdb::CMs 650766 Specdb::CMs 650767 Specdb::CMs 650768 Specdb::CMs 650769 Specdb::CMs 650770 Specdb::CMs 650771 HMDB34473 #<Reference:0x000055ce32e2e518> Citrus Unknown generic