1.0 2010-04-08 22:13:22 UTC 2025-11-19 02:05:55 UTC FDB017890 6-Methoxymellein Isolated from Aspergillus caespitosus, Aspergillus variecolor and Sporormia bipartis. Reaches fungitoxic levels in stored infected carrot. Shows broad antimicrobial action. 6-Methoxymellein is found in wild carrot, root vegetables, and carrot. 3,4-Dihydro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one 6-Methoxy-8-hydroxy-3-methyl-3,4-dihydroisocoumarin 6-Methoxymellein 6-Mhmd-isocoumarin Antibiotic LL-N313a Isocoumarin LL-N313a C11H12O4 208.2106 208.073558872 8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one 6-methoxymellein 13410-15-6 COC1=CC(O)=C2C(=O)OC(C)CC2=C1 InChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3 AIFNAMVERSBWPS-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-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carboxylic acid esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-benzopyran Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Vinylogous acid a small molecule isochromanes logp 2.06 ALOGPS logs -1.85 ALOGPS solubility 2.97e+00 g/l ALOGPS melting_point Mp 75-76° logp 2.42 ChemAxon pka_strongest_acidic 9.56 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one ChemAxon average_mass 208.2106 ChemAxon mono_mass 208.073558872 ChemAxon smiles COC1=CC(O)=C2C(=O)OC(C)CC2=C1 ChemAxon formula C11H12O4 ChemAxon inchi InChI=1S/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3 ChemAxon inchikey AIFNAMVERSBWPS-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 54.26 ChemAxon polarizability 21.1 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26386 Specdb::CMs 45876 Specdb::CMs 171924 Specdb::MsMs 9647 Specdb::MsMs 9648 Specdb::MsMs 9649 Specdb::MsMs 16319 Specdb::MsMs 16320 Specdb::MsMs 16321 Specdb::MsMs 2290818 Specdb::MsMs 2290819 Specdb::MsMs 2290820 Specdb::MsMs 2644773 Specdb::MsMs 2644774 Specdb::MsMs 2644775 Specdb::MsIr 7958 Specdb::MsIr 7959 Specdb::MsIr 7960 Specdb::NmrOneD 27062 Specdb::NmrOneD 27063 Specdb::NmrOneD 27064 Specdb::NmrOneD 27065 Specdb::NmrOneD 27066 Specdb::NmrOneD 27067 Specdb::NmrOneD 27068 Specdb::NmrOneD 27069 Specdb::NmrOneD 27070 Specdb::NmrOneD 27071 Specdb::NmrOneD 27072 Specdb::NmrOneD 27073 Specdb::NmrOneD 27074 Specdb::NmrOneD 27075 Specdb::NmrOneD 27076 Specdb::NmrOneD 27077 Specdb::NmrOneD 27078 Specdb::NmrOneD 27079 Specdb::NmrOneD 27080 Specdb::NmrOneD 27081 HMDB38510 16252 #<Reference:0x000055ce307d5d58> Carrot Type 1 specific Daucus carota ssp. sativus 79200 0.0 0.0 0.0 mg/100 g Root vegetables Unknown generic Wild carrot Type 1 specific Daucus carota 4039