1.0 2010-04-08 22:11:57 UTC 2025-11-19 00:56:48 UTC FDB015621 3-Epinobilin Isolated from Anthemis nobilis (Roman chamomile) flowers. 3-Epinobilin is found in roman camomile and herbs and spices. 3-Epinobilin C20H26O5 346.423 346.178023937 9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate 9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate C\C=C(\C)C(=O)OC1C\C(C)=C\CC(O)\C(C)=C\C2OC(=O)C(=C)C12 InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+ QFINJHBXXJQKPB-QLDBJWRKSA-N belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Germacranolides and derivatives 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 Germacranolide Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Tetrahydrofuran melting_point Mp 137° logp 3.45 ChemAxon pka_strongest_acidic 14.55 ChemAxon pka_strongest_basic -3 ChemAxon iupac 9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate ChemAxon average_mass 346.423 ChemAxon mono_mass 346.178023937 ChemAxon smiles C\C=C(\C)C(=O)OC1C\C(C)=C\CC(O)\C(C)=C\C2OC(=O)C(=C)C12 ChemAxon formula C20H26O5 ChemAxon inchi InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+ ChemAxon inchikey QFINJHBXXJQKPB-QLDBJWRKSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 96.86 ChemAxon polarizability 36.76 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 6029 Specdb::CMs 44975 Specdb::CMs 172854 Specdb::MsMs 58566 Specdb::MsMs 58567 Specdb::MsMs 58568 Specdb::MsMs 114513 Specdb::MsMs 114514 Specdb::MsMs 114515 Specdb::MsMs 2357790 Specdb::MsMs 2357791 Specdb::MsMs 2357792 Specdb::MsMs 2604305 Specdb::MsMs 2604306 Specdb::MsMs 2604307 HMDB0036690 Herbs and Spices Unknown generic Roman camomile Type 1 specific Chamaemelum nobile 99037