1.0 2010-04-08 22:09:54 UTC 2019-11-26 03:05:44 UTC FDB011922 Cyperine Metabolite of a fungal pathogen of Cyperus rotundus (nutgrass). Cyperine is found in root vegetables. 2-(3-Hydroxy-5-methylphenoxy)-5-methoxy-3-methylphenol, 9CI Antibiotic LL-V125a Cyperine LL-V125a C15H16O4 260.2851 260.104859 2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methylphenol cyperine 33716-82-4 COC1=CC(O)=C(OC2=CC(C)=CC(O)=C2)C(C)=C1 InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3 KXXZLMLLYMPYJE-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. Diphenylethers Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Diarylethers Hydrocarbon derivatives Meta cresols Methoxybenzenes Methoxyphenols Phenoxy compounds Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Diaryl ether Diphenylether Ether Hydrocarbon derivative M-cresol Methoxybenzene Methoxyphenol Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Toluene aromatic ether logp 3.17 ALOGPS logs -3.65 ALOGPS solubility 5.83e-02 g/l ALOGPS melting_point Mp 121.5-122.5° logp 3.74 ChemAxon pka_strongest_acidic 8.45 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methylphenol ChemAxon average_mass 260.2851 ChemAxon mono_mass 260.104859 ChemAxon smiles COC1=CC(O)=C(OC2=CC(C)=CC(O)=C2)C(C)=C1 ChemAxon formula C15H16O4 ChemAxon inchi InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3 ChemAxon inchikey KXXZLMLLYMPYJE-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 72.81 ChemAxon polarizability 27.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22394 Specdb::CMs 43493 Specdb::CMs 159490 Specdb::MsMs 75039 Specdb::MsMs 75040 Specdb::MsMs 75041 Specdb::MsMs 134583 Specdb::MsMs 134584 Specdb::MsMs 134585 Specdb::MsMs 2705015 Specdb::MsMs 2705016 Specdb::MsMs 2705017 Specdb::MsMs 3004401 Specdb::MsMs 3004402 Specdb::MsMs 3004403 HMDB33771 #<Reference:0x000055ce31639e08> Root vegetables Unknown generic