1.02010-04-08 22:08:10 UTC2019-11-26 03:02:53 UTCFDB0086124-NerolidylcatecholConstituent of Pothomorphe umbellata (pariparoba) and Pothomorphe peltata (Piperaceae). 4-Nerolidylcatechol is found in herbs and spices.3-(3,4-Dihydroxyphenyl)-3,7,11-trimethyl-1,6,10-dodecatriene4-NerolidylcatecholC21H30O2314.4617314.2245802044-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol74683-11-7CC(C)=CCC\C(C)=C\CCC(C)(C=C)C1=CC(O)=C(O)C=C1InChI=1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+ZBZZDHDWRSFLAY-GZTJUZNOSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsBenzene and substituted derivativesCatecholsHydrocarbon derivativesOrganooxygen compounds1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic homomonocyclic compoundBenzenoidCatecholFarsesane sesquiterpenoidHydrocarbon derivativeMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundPhenolSesquiterpenoidlogp6.49logs-4.59solubility8.08e-03 g/llogp6.37pka_strongest_acidic9.26pka_strongest_basic-6.3iupac4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diolaverage_mass314.4617mono_mass314.224580204smilesCC(C)=CCC\C(C)=C\CCC(C)(C=C)C1=CC(O)=C(O)C=C1formulaC21H30O2inchiInChI=1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+inchikeyZBZZDHDWRSFLAY-GZTJUZNOSA-Npolar_surface_area40.46refractivity100.94polarizability38.01rotatable_bond_count8acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs13693Specdb::CMs42665Specdb::CMs161020Specdb::MsMs52062Specdb::MsMs52063Specdb::MsMs52064Specdb::MsMs176802Specdb::MsMs176803Specdb::MsMs176804Specdb::MsMs3060340Specdb::MsMs3060341Specdb::MsMs3060342Specdb::MsMs3109857Specdb::MsMs3109858Specdb::MsMs3109859HMDB31924#<Reference:0x0000555675bd04e0>Herbs and SpicesUnknowngeneric