1.0 2010-04-08 22:05:30 UTC 2020-02-24 19:10:36 UTC FDB002727 Dracunculin Constituent of Artemisia dracunculoides (Russian tarragon). Dracunculin is found in mugwort and pulses. 4-Methoxy-8H-1,3-dioxolo[4,5-h][1]benzopyran-8-one 6-Methoxy-7,8-methylenedioxycoumarin Dracunculin C11H8O5 220.1782 220.037173366 4-methoxy-2H,8H-[1,3]dioxolo[4,5-h]chromen-8-one 4-methoxy-2H-[1,3]dioxolo[4,5-h]chromen-8-one 28843-40-5 COC1=C2OCOC2=C2OC(=O)C=CC2=C1 InChI=1S/C11H8O5/c1-13-7-4-6-2-3-8(12)16-9(6)11-10(7)14-5-15-11/h2-4H,5H2,1H3 GHIKZCCKJTXOGO-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 Acetals Alkyl aryl ethers Anisoles Benzodioxoles Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzopyran Coumarin Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 1.25 ALOGPS logs -2.09 ALOGPS solubility 1.79e+00 g/l ALOGPS melting_point Mp 219-221° logp 1.25 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 4-methoxy-2H,8H-[1,3]dioxolo[4,5-h]chromen-8-one ChemAxon average_mass 220.1782 ChemAxon mono_mass 220.037173366 ChemAxon smiles COC1=C2OCOC2=C2OC(=O)C=CC2=C1 ChemAxon formula C11H8O5 ChemAxon inchi InChI=1S/C11H8O5/c1-13-7-4-6-2-3-8(12)16-9(6)11-10(7)14-5-15-11/h2-4H,5H2,1H3 ChemAxon inchikey GHIKZCCKJTXOGO-UHFFFAOYSA-N ChemAxon polar_surface_area 53.99 ChemAxon refractivity 53.78 ChemAxon polarizability 20.68 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24807 Specdb::CMs 137436 Specdb::CMs 145170 Specdb::MsMs 61125 Specdb::MsMs 61126 Specdb::MsMs 61127 Specdb::MsMs 117603 Specdb::MsMs 117604 Specdb::MsMs 117605 Specdb::MsMs 2764835 Specdb::MsMs 2764836 Specdb::MsMs 2764837 Specdb::MsMs 2944030 Specdb::MsMs 2944031 Specdb::MsMs 2944032 HMDB30789 #<Reference:0x000055ce30f4b560> Mugwort Type 1 specific Artemisia vulgaris 4220 Pulses Unknown generic