1.0 2010-04-08 22:14:48 UTC 2019-11-26 03:18:30 UTC FDB020119 Acrimarine I Alkaloid from roots of Yalaha. Acrimarine I is found in citrus. 2-(4-Oxo-4-phenylbutyl)-1-indanone Acrimarine I C34H31NO7 565.6124 565.210052351 6,11-dihydroxy-12-[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbut-2-en-1-yl]-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one 6,11-dihydroxy-12-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-en-1-yl]-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one 147395-89-9 COC1=C(C=C2C=CC(=O)OC2=C1)C(C=C(C)C)C1=C(O)C2=C(N(C)C3=C(C=CC=C3O)C2=O)C2=C1OC(C)(C)C=C2 InChI=1S/C34H31NO7/c1-17(2)14-22(21-15-18-10-11-26(37)41-24(18)16-25(21)40-6)27-32(39)28-30(20-12-13-34(3,4)42-33(20)27)35(5)29-19(31(28)38)8-7-9-23(29)36/h7-16,22,36,39H,1-6H3 GSUYTELQWICLMF-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 2,2-dimethyl-1-benzopyrans 8-hydroxyquinolines Alkyl aryl ethers Anisoles Azacyclic compounds Chromenopyridines 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 2,2-dimethyl-1-benzopyran 8-hydroxyquinoline Acridone Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Benzopyran Chromenopyridine 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 5.52 ALOGPS logs -5.55 ALOGPS solubility 1.60e-03 g/l ALOGPS logp 6.87 ChemAxon pka_strongest_acidic 9.1 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 6,11-dihydroxy-12-[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbut-2-en-1-yl]-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one ChemAxon average_mass 565.6124 ChemAxon mono_mass 565.210052351 ChemAxon smiles COC1=C(C=C2C=CC(=O)OC2=C1)C(C=C(C)C)C1=C(O)C2=C(N(C)C3=C(C=CC=C3O)C2=O)C2=C1OC(C)(C)C=C2 ChemAxon formula C34H31NO7 ChemAxon inchi InChI=1S/C34H31NO7/c1-17(2)14-22(21-15-18-10-11-26(37)41-24(18)16-25(21)40-6)27-32(39)28-30(20-12-13-34(3,4)42-33(20)27)35(5)29-19(31(28)38)8-7-9-23(29)36/h7-16,22,36,39H,1-6H3 ChemAxon inchikey GSUYTELQWICLMF-UHFFFAOYSA-N ChemAxon polar_surface_area 105.53 ChemAxon refractivity 163.15 ChemAxon polarizability 60.66 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22584 Specdb::CMs 46760 Specdb::CMs 282122 Specdb::CMs 359495 Specdb::CMs 359496 Specdb::CMs 359497 Specdb::CMs 359498 Specdb::CMs 359499 Specdb::MsMs 316156 Specdb::MsMs 316157 Specdb::MsMs 316158 Specdb::MsMs 362332 Specdb::MsMs 362333 Specdb::MsMs 362334 Specdb::MsMs 3047475 Specdb::MsMs 3047476 Specdb::MsMs 3047477 Specdb::MsMs 3095560 Specdb::MsMs 3095561 Specdb::MsMs 3095562 HMDB40387 #<Reference:0x000055ce30102328> Citrus Unknown generic