1.0 2010-04-08 22:15:07 UTC 2019-11-26 03:19:10 UTC FDB020585 Dioxinoacrimarine A Alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisi) and Dancy tangerine (Citrus tangerina)] (Rutaceae). Dioxinoacrimarine A is found in citrus. C29H23NO8 513.4948 513.142366717 9-hydroxy-2-[(E)-2-(7-hydroxy-2-oxo-2H-chromen-8-yl)ethenyl]-7-methoxy-2,5-dimethyl-2,3,5,10-tetrahydro-1,4-dioxa-5-azatetraphen-10-one 9-hydroxy-2-[(E)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-7-methoxy-2,5-dimethyl-3H-1,4-dioxa-5-azatetraphen-10-one 158182-14-0 COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C2=C(OC(C)(CO2)\C=C\C2=C(O)C=CC3=C2OC(=O)C=C3)C=C1 InChI=1S/C29H23NO8/c1-29(11-10-17-20(31)7-4-15-5-9-23(33)37-27(15)17)14-36-28-22(38-29)8-6-18-25(28)30(2)19-12-16(35-3)13-21(32)24(19)26(18)34/h4-13,31-32H,14H2,1-3H3/b11-10+ AEXHLHGCDOTWGS-ZHACJKMWSA-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 7-hydroxycoumarins Alkyl aryl ethers Anisoles Azacyclic compounds Benzo-1,4-dioxanes Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Lactones Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Para dioxins Pyranones and derivatives Pyridines and derivatives Styrenes Vinylogous acids Vinylogous amides 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 7-hydroxycoumarin Acridone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzo-1,4-dioxane Benzodioxane Benzopyran Coumarin Dihydroquinoline Dihydroquinolone Ether Heteroaromatic compound Hydrocarbon derivative Hydroxycoumarin Lactone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Para-dioxin Pyran Pyranone Pyridine Styrene Vinylogous acid Vinylogous amide logp 4.46 ALOGPS logs -4.81 ALOGPS solubility 7.95e-03 g/l ALOGPS melting_point Mp 179-181° logp 5.01 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 9-hydroxy-2-[(E)-2-(7-hydroxy-2-oxo-2H-chromen-8-yl)ethenyl]-7-methoxy-2,5-dimethyl-2,3,5,10-tetrahydro-1,4-dioxa-5-azatetraphen-10-one ChemAxon average_mass 513.4948 ChemAxon mono_mass 513.142366717 ChemAxon smiles COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C2=C(OC(C)(CO2)\C=C\C2=C(O)C=CC3=C2OC(=O)C=C3)C=C1 ChemAxon formula C29H23NO8 ChemAxon inchi InChI=1S/C29H23NO8/c1-29(11-10-17-20(31)7-4-15-5-9-23(33)37-27(15)17)14-36-28-22(38-29)8-6-18-25(28)30(2)19-12-16(35-3)13-21(32)24(19)26(18)34/h4-13,31-32H,14H2,1-3H3/b11-10+ ChemAxon inchikey AEXHLHGCDOTWGS-ZHACJKMWSA-N ChemAxon polar_surface_area 114.76 ChemAxon refractivity 140.07 ChemAxon polarizability 53.67 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11932 Specdb::CMs 46957 Specdb::MsMs 292267 Specdb::MsMs 292268 Specdb::MsMs 292269 Specdb::MsMs 332422 Specdb::MsMs 332423 Specdb::MsMs 332424 Specdb::MsMs 2413297 Specdb::MsMs 2413298 Specdb::MsMs 2413299 Specdb::MsMs 2552351 Specdb::MsMs 2552352 Specdb::MsMs 2552353 HMDB40769 #<Reference:0x000055ce3285ea70> Citrus Unknown generic