1.0 2010-04-08 22:04:38 UTC 2020-02-24 19:10:10 UTC FDB000595 Isoeugenitin Constituent of Eugenia caryophyllata (clove). Isoeugenitin is found in herbs and spices and cloves. 3-amino-4-(4-toluidino)benzoic acid 3-amino-4-[(4-methylphenyl)amino]benzoic acid 5-Hydroxy-7-methoxy-2,8-dimethyl-4H-1-benzopyran-4-one Isoeugenitin C12H12O4 220.2213 220.073558872 5-hydroxy-7-methoxy-2,8-dimethyl-4H-chromen-4-one 5-hydroxy-7-methoxy-2,8-dimethylchromen-4-one 519-18-6 COC1=C(C)C2=C(C(O)=C1)C(=O)C=C(C)O2 InChI=1S/C12H12O4/c1-6-4-8(13)11-9(14)5-10(15-3)7(2)12(11)16-6/h4-5,14H,1-3H3 DFAAYQHTFVTATL-UHFFFAOYSA-N belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety. Chromones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 2.22 ALOGPS logs -2.39 ALOGPS solubility 9.01e-01 g/l ALOGPS melting_point Mp 147.5-148° logp 2.57 ChemAxon pka_strongest_acidic 9.08 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 5-hydroxy-7-methoxy-2,8-dimethyl-4H-chromen-4-one ChemAxon average_mass 220.2213 ChemAxon mono_mass 220.073558872 ChemAxon smiles COC1=C(C)C2=C(C(O)=C1)C(=O)C=C(C)O2 ChemAxon formula C12H12O4 ChemAxon inchi InChI=1S/C12H12O4/c1-6-4-8(13)11-9(14)5-10(15-3)7(2)12(11)16-6/h4-5,14H,1-3H3 ChemAxon inchikey DFAAYQHTFVTATL-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 60.59 ChemAxon polarizability 22.47 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12858 Specdb::CMs 41385 Specdb::CMs 136948 Specdb::CMs 144682 Specdb::MsMs 69213 Specdb::MsMs 69214 Specdb::MsMs 69215 Specdb::MsMs 127437 Specdb::MsMs 127438 Specdb::MsMs 127439 Specdb::MsMs 2401853 Specdb::MsMs 2401854 Specdb::MsMs 2401855 Specdb::MsMs 2533971 Specdb::MsMs 2533972 Specdb::MsMs 2533973 HMDB29473 #<Reference:0x000055ce31bd77c0> Cloves Type 1 specific Syzygium aromaticum 219868 Herbs and Spices Unknown generic