1.0 2010-04-08 22:09:44 UTC 2019-11-26 03:05:08 UTC FDB011605 Assafoetidin Constituent of Ferula assa-foetida (asafoetida). Assafoetidin is found in herbs and spices and green vegetables. Assafoetidin C24H30O4 382.4926 382.214409448 7-{[(2Z)-5-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3-methylpent-2-en-1-yl]oxy}-2H-chromen-2-one 7-{[(2Z)-5-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3-methylpent-2-en-1-yl]oxy}chromen-2-one 115361-83-6 C\C(CCC1=C(C)CCC(O)C1(C)C)=C\COC1=CC2=C(C=CC(=O)O2)C=C1 InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,22,25H,5-6,10-11,14H2,1-4H3/b16-13- FDKWXRYTMNZMOF-SSZFMOIBSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Coumarins and derivatives Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols Sesquiterpenoids 1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Cyclofarsesane sesquiterpenoid Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Secondary alcohol Sesquiterpenoid Terpene lactone logp 5.31 ALOGPS logs -5.24 ALOGPS solubility 2.21e-03 g/l ALOGPS melting_point Mp 112° logp 4.67 ChemAxon pka_strongest_acidic 19.4 ChemAxon pka_strongest_basic -0.87 ChemAxon iupac 7-{[(2Z)-5-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3-methylpent-2-en-1-yl]oxy}-2H-chromen-2-one ChemAxon average_mass 382.4926 ChemAxon mono_mass 382.214409448 ChemAxon smiles C\C(CCC1=C(C)CCC(O)C1(C)C)=C\COC1=CC2=C(C=CC(=O)O2)C=C1 ChemAxon formula C24H30O4 ChemAxon inchi InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,22,25H,5-6,10-11,14H2,1-4H3/b16-13- ChemAxon inchikey FDKWXRYTMNZMOF-SSZFMOIBSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 113.15 ChemAxon polarizability 43.17 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9304 Specdb::CMs 43353 Specdb::CMs 135871 Specdb::CMs 143605 Specdb::MsMs 93726 Specdb::MsMs 93727 Specdb::MsMs 93728 Specdb::MsMs 157551 Specdb::MsMs 157552 Specdb::MsMs 157553 Specdb::MsMs 2463387 Specdb::MsMs 2463388 Specdb::MsMs 2463389 Specdb::MsMs 2501510 Specdb::MsMs 2501511 Specdb::MsMs 2501512 HMDB33543 #<Reference:0x000055ce328fcb58> Green vegetables Unknown generic Herbs and Spices Unknown generic