1.0 2010-04-08 22:13:26 UTC 2019-11-26 03:15:30 UTC FDB017980 Buntanine Alkaloid from the root bark of Citrus grandis (pummelo). Buntanine is found in pummelo and citrus. 1,3,6-Trihydroxy-5-methoxy-10-methyl-2-prenylacridone Buntanine C20H21NO5 355.3844 355.141972787 1,3,6-trihydroxy-5-methoxy-10-methyl-2-(3-methylbut-2-en-1-yl)-9,10-dihydroacridin-9-one buntanine 119116-85-7 COC1=C(O)C=CC2=C1N(C)C1=CC(O)=C(CC=C(C)C)C(O)=C1C2=O InChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3 XUUGIWDILRFFER-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 Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Pyridines and derivatives Vinylogous acids Vinylogous amides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acridone 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 Polyol Pyridine Vinylogous acid Vinylogous amide Acridone alkaloids acridines logp 3.12 ALOGPS logs -3.83 ALOGPS solubility 5.22e-02 g/l ALOGPS melting_point Mp 247-249° logp 4.43 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 1,3,6-trihydroxy-5-methoxy-10-methyl-2-(3-methylbut-2-en-1-yl)-9,10-dihydroacridin-9-one ChemAxon average_mass 355.3844 ChemAxon mono_mass 355.141972787 ChemAxon smiles COC1=C(O)C=CC2=C1N(C)C1=CC(O)=C(CC=C(C)C)C(O)=C1C2=O ChemAxon formula C20H21NO5 ChemAxon inchi InChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3 ChemAxon inchikey XUUGIWDILRFFER-UHFFFAOYSA-N ChemAxon polar_surface_area 90.23 ChemAxon refractivity 100.61 ChemAxon polarizability 38.22 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13733 Specdb::CMs 45929 Specdb::CMs 148481 Specdb::MsMs 103083 Specdb::MsMs 103084 Specdb::MsMs 103085 Specdb::MsMs 169029 Specdb::MsMs 169030 Specdb::MsMs 169031 Specdb::MsMs 2742958 Specdb::MsMs 2742959 Specdb::MsMs 2742960 Specdb::MsMs 2935235 Specdb::MsMs 2935236 Specdb::MsMs 2935237 HMDB38590 #<Reference:0x000055ce32212540> Citrus Unknown generic Pummelo Type 1 specific Citrus maxima 37334