1.0 2010-04-08 22:08:10 UTC 2019-11-26 03:02:53 UTC FDB008612 4-Nerolidylcatechol Constituent 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-dodecatriene 4-Nerolidylcatechol C21H30O2 314.4617 314.224580204 4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol 4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol 74683-11-7 CC(C)=CCC\C(C)=C\CCC(C)(C=C)C1=CC(O)=C(O)C=C1 InChI=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. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Catechols Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Catechol Farsesane sesquiterpenoid Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Sesquiterpenoid logp 6.49 ALOGPS logs -4.59 ALOGPS solubility 8.08e-03 g/l ALOGPS logp 6.37 ChemAxon pka_strongest_acidic 9.26 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol ChemAxon average_mass 314.4617 ChemAxon mono_mass 314.224580204 ChemAxon smiles CC(C)=CCC\C(C)=C\CCC(C)(C=C)C1=CC(O)=C(O)C=C1 ChemAxon formula C21H30O2 ChemAxon inchi InChI=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+ ChemAxon inchikey ZBZZDHDWRSFLAY-GZTJUZNOSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 100.94 ChemAxon polarizability 38.01 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 52062 Specdb::MsMs 52063 Specdb::MsMs 52064 Specdb::MsMs 176802 Specdb::MsMs 176803 Specdb::MsMs 176804 Specdb::MsMs 3060340 Specdb::MsMs 3060341 Specdb::MsMs 3060342 Specdb::MsMs 3109857 Specdb::MsMs 3109858 Specdb::MsMs 3109859 Specdb::CMs 13693 Specdb::CMs 42665 Specdb::CMs 161020 HMDB31924 #<Reference:0x000055ce31c50828> Herbs and Spices Unknown generic