1.0 2010-04-08 22:10:25 UTC 2019-11-26 03:07:48 UTC FDB012885 Hydroxyisonobilin Constituent of Anthemis nobilis (Roman chamomile). Hydroxyisonobilin is found in roman camomile and herbs and spices. Hydroxyisonobilin C20H26O6 362.4168 362.172938564 7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate 7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-3aH,4H,5H,7H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate C\C=C(\C)C(=O)OC1CC(=C)C(O)CC(O)\C(C)=C/C2OC(=O)C(=C)C12 InChI=1S/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6,8,14-18,21-22H,3,5,7,9H2,1-2,4H3/b10-6-,12-8- SDFKKMBWIQKUOQ-RXDMEISQSA-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 Aliphatic heteropolycyclic compounds Carbonyl compounds Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Gamma butyrolactones Germacrane sesquiterpenoids Hydrocarbon derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Gamma butyrolactone Germacrane sesquiterpenoid Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Terpene lactone Tetrahydrofuran logp 1.05 ALOGPS logs -2.62 ALOGPS solubility 8.70e-01 g/l ALOGPS melting_point Mp 144-146° logp 2.21 ChemAxon pka_strongest_acidic 6.18 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate ChemAxon average_mass 362.4168 ChemAxon mono_mass 362.172938564 ChemAxon smiles C\C=C(\C)C(=O)OC1CC(=C)C(O)CC(O)\C(C)=C/C2OC(=O)C(=C)C12 ChemAxon formula C20H26O6 ChemAxon inchi InChI=1S/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6,8,14-18,21-22H,3,5,7,9H2,1-2,4H3/b10-6-,12-8- ChemAxon inchikey SDFKKMBWIQKUOQ-RXDMEISQSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 97.26 ChemAxon polarizability 38.3 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15740 Specdb::CMs 43891 Specdb::CMs 146563 Specdb::MsMs 61569 Specdb::MsMs 61570 Specdb::MsMs 61571 Specdb::MsMs 118122 Specdb::MsMs 118123 Specdb::MsMs 118124 Specdb::MsMs 2670079 Specdb::MsMs 2670080 Specdb::MsMs 2670081 Specdb::MsMs 3007972 Specdb::MsMs 3007973 Specdb::MsMs 3007974 HMDB34475 #<Reference:0x000055ce302e5910> Herbs and Spices Unknown generic Roman camomile Type 1 specific Chamaemelum nobile 99037