1.02010-04-08 22:11:57 UTC2019-11-26 03:11:57 UTCFDB0156233-DehydronobilinIsolated from Anthemis nobilis (Roman chamomile). 3-Dehydronobilin is found in roman camomile and herbs and spices.3-DehydronobilinC20H24O5344.4016344.1623738786,10-dimethyl-3-methylidene-2,9-dioxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate6,10-dimethyl-3-methylidene-2,9-dioxo-3aH,4H,5H,8H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate63529-14-6C\C=C(\C)C(=O)OC1C\C(C)=C\CC(=O)\C(C)=C\C2OC(=O)C(=C)C12InChI=1S/C20H24O5/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/h6-7,10,16-18H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+FKDIIXZIKCNXAT-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 derivativesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene lactonesAliphatic heteropolycyclic compoundsCyclic ketonesDicarboxylic acids and derivativesEnoate estersFatty acid estersGamma butyrolactonesGermacrane sesquiterpenoidsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsTetrahydrofuransAliphatic heteropolycyclic compoundAlpha,beta-unsaturated carboxylic esterCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCyclic ketoneDicarboxylic acid or derivativesEnoate esterFatty acid esterFatty acylGamma butyrolactoneGermacrane sesquiterpenoidGermacranolideHydrocarbon derivativeKetoneLactoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleSesquiterpenoidTetrahydrofuranlogp3.19logs-4.17solubility2.31e-02 g/lmelting_pointMp 205°logp4.02pka_strongest_acidic6.17pka_strongest_basic-5.8iupac6,10-dimethyl-3-methylidene-2,9-dioxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoateaverage_mass344.4016mono_mass344.162373878smilesC\C=C(\C)C(=O)OC1C\C(C)=C\CC(=O)\C(C)=C\C2OC(=O)C(=C)C12formulaC20H24O5inchiInChI=1S/C20H24O5/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/h6-7,10,16-18H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+inchikeyFKDIIXZIKCNXAT-QLDBJWRKSA-Npolar_surface_area69.67refractivity96.04polarizability35.76rotatable_bond_count3acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::CMs9508Specdb::CMs152684Specdb::MsMs108045Specdb::MsMs108046Specdb::MsMs108047Specdb::MsMs175173Specdb::MsMs175174Specdb::MsMs175175Specdb::MsMs2824879Specdb::MsMs2824880Specdb::MsMs2824881Specdb::MsMs2854240Specdb::MsMs2854241Specdb::MsMs2854242HMDB36691#<Reference:0x0000555674a8a938>Herbs and SpicesUnknowngenericRoman camomileType 1specificChamaemelum nobile99037antitumor672A substance that inhibits or prevents the proliferation of neoplasms.