1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:36 UTC FDB011859 Graveolone Constituent of Anethum graveolens (dill). Graveolone is found in dill, herbs and spices, and parsley. 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo-(1,2b:5,4')-dipyran-2,6-dione 6,7-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,6-dione 8,8-Dimethyl-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione C14H12O4 244.2427 244.073558872 13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),6,9-tetraene-5,11-dione 13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),6,9-tetraene-5,11-dione 16499-05-1 CC1(C)CC(=O)C2=CC3=C(OC(=O)C=C3)C=C2O1 InChI=1S/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H3 WEDGVCZUPFZNDE-UHFFFAOYSA-N belongs to the class of organic compounds known as linear pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. Linear pyranocoumarins Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins Aromatic heteropolycyclic compounds 2,2-dimethyl-1-benzopyrans Alkyl aryl ethers Aryl alkyl ketones Benzenoids Chromones Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives 1-benzopyran 2,2-dimethyl-1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Ether Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Linear pyranocoumarin Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranochromene Pyranone logp 2.37 ALOGPS logs -3.47 ALOGPS solubility 8.18e-02 g/l ALOGPS melting_point Mp 177.5-178° logp 1.82 ChemAxon pka_strongest_acidic 15.01 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1,3(8),6,9-tetraene-5,11-dione ChemAxon average_mass 244.2427 ChemAxon mono_mass 244.073558872 ChemAxon smiles CC1(C)CC(=O)C2=CC3=C(OC(=O)C=C3)C=C2O1 ChemAxon formula C14H12O4 ChemAxon inchi InChI=1S/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H3 ChemAxon inchikey WEDGVCZUPFZNDE-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 65.61 ChemAxon polarizability 24.87 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18137 Specdb::CMs 133658 Specdb::CMs 141392 Specdb::MsMs 10151 Specdb::MsMs 10152 Specdb::MsMs 10153 Specdb::MsMs 16823 Specdb::MsMs 16824 Specdb::MsMs 16825 Specdb::MsMs 2660956 Specdb::MsMs 2660957 Specdb::MsMs 2660958 Specdb::MsMs 3020922 Specdb::MsMs 3020923 Specdb::MsMs 3020924 HMDB33735 #<Reference:0x000055ce33380110> #<Reference:0x00007f093c0fbf08> Dill Type 1 specific Anethum graveolens 40922 Herbs and Spices Unknown generic Parsley Type 1 specific Petroselinum crispum 4043