1.0 2010-04-08 22:10:57 UTC 2025-11-19 00:37:43 UTC FDB013873 3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol Mycotoxin production by Penicillium corylophilum and Penicillium steckii. Isolated from P. steckii infected millet hay 3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-benzopyran-8-ol 3,7-Dimethyl-6-methoxy-8-isochromanol 3,7-Dimethyl-8-hydroxy-6-methoxyisochroman 3,8-Dihydroxy-1,2,4-trimethoxyxanthone 8-Hydroxy-6-methoxy-3,7-dimethylisochroman 8-Isochromanol, 3,7-dimethyl-6-methoxy- C12H16O3 208.2536 208.109944378 6-methoxy-3,7-dimethyl-3,4-dihydro-1H-2-benzopyran-8-ol 6-methoxy-3,7-dimethyl-3,4-dihydro-1H-2-benzopyran-8-ol 70080-82-9 COC1=C(C)C(O)=C2COC(C)CC2=C1 InChI=1S/C12H16O3/c1-7-4-9-5-11(14-3)8(2)12(13)10(9)6-15-7/h5,7,13H,4,6H2,1-3H3 OQMJILQCXYKZEM-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position. 2-benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans 2-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds 1-hydroxy-4-unsubstituted benzenoid 2-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle logp 2.09 ALOGPS logs -2.33 ALOGPS solubility 9.84e-01 g/l ALOGPS melting_point Mp 122° logp 2.36 ChemAxon pka_strongest_acidic 9.54 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 6-methoxy-3,7-dimethyl-3,4-dihydro-1H-2-benzopyran-8-ol ChemAxon average_mass 208.2536 ChemAxon mono_mass 208.109944378 ChemAxon smiles COC1=C(C)C(O)=C2COC(C)CC2=C1 ChemAxon formula C12H16O3 ChemAxon inchi InChI=1S/C12H16O3/c1-7-4-9-5-11(14-3)8(2)12(13)10(9)6-15-7/h5,7,13H,4,6H2,1-3H3 ChemAxon inchikey OQMJILQCXYKZEM-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 58.84 ChemAxon polarizability 23.04 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6854 Specdb::MsIr 6855 Specdb::MsIr 6856 Specdb::MsMs 9662 Specdb::MsMs 9663 Specdb::MsMs 9664 Specdb::MsMs 16334 Specdb::MsMs 16335 Specdb::MsMs 16336 Specdb::MsMs 2755069 Specdb::MsMs 2755070 Specdb::MsMs 2755071 Specdb::MsMs 2953890 Specdb::MsMs 2953891 Specdb::MsMs 2953892 Specdb::CMs 22678 Specdb::CMs 44264 Specdb::CMs 157549 HMDB35224 #<Reference:0x000055ce31a6f7e8>