1.0 2011-03-17 23:25:43 UTC 2025-11-19 02:38:53 UTC FDB021654 Meranzin (r)-meranzin belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one) (r)-meranzin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (r)-meranzin can be found in citrus, which makes (r)-meranzin a potential biomarker for the consumption of this food product. 8-[(3,3-Dimethyloxiranyl)methyl]-7-methoxy-2H-1-benzopyran-2-one, 9CI Aurapten? Merancin Merangin Meranzin Osthole oxide C15H16O4 260.2851 260.104859 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxy-2H-chromen-2-one 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-one 489-53-2 COC1=C(CC2OC2(C)C)C2=C(C=CC(=O)O2)C=C1 InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3 LSZONYLDFHGRDP-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Anisoles Dialkyl ethers Epoxides Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Dialkyl ether Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Pyran Pyranone logp 2.93 ALOGPS logs -3.73 ALOGPS solubility 4.85e-02 g/l ALOGPS logp 2.38 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxy-2H-chromen-2-one ChemAxon average_mass 260.2851 ChemAxon mono_mass 260.104859 ChemAxon smiles COC1=C(CC2OC2(C)C)C2=C(C=CC(=O)O2)C=C1 ChemAxon formula C15H16O4 ChemAxon inchi InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3 ChemAxon inchikey LSZONYLDFHGRDP-UHFFFAOYSA-N ChemAxon polar_surface_area 48.06 ChemAxon refractivity 71.09 ChemAxon polarizability 27.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12179 Specdb::CMs 123731 Specdb::CMs 149820 Specdb::MsMs 53646 Specdb::MsMs 53647 Specdb::MsMs 53648 Specdb::MsMs 135480 Specdb::MsMs 135481 Specdb::MsMs 135482 Specdb::MsMs 2814622 Specdb::MsMs 2814623 Specdb::MsMs 2814624 Specdb::MsMs 2891247 Specdb::MsMs 2891248 Specdb::MsMs 2891249 HMDB0030853 Sweet orange Type 1 specific Citrus sinensis 2711 bitter