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(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide

PubChem CID: 11980947

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Compound Synonyms Oleoresin paprika, Paprika, Oleoresin, CQNWNTTUNLMXGL-DDDFTYIZSA-N
Topological Polar Surface Area 228.0
Hydrogen Bond Donor Count 7.0
Inchi Key CQNWNTTUNLMXGL-DDDFTYIZSA-N
Rotatable Bond Count 56.0
Synonyms Paprika (capsicum annuum l.), (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-(4-Hydroxy-1,2,2-trimethylcyclopentyl)-19-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,8,13,17-tetramethyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,8,13,17-tetramethyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one, (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidate, (6E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,11,15,20,24-hexamethylhexacosa-2,6,9,11,13,15,17,19,21,23,25-undecaen-8-one
Heavy Atom Count 194.0
Compound Name (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide, (6E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,6,11,15,20,24-hexamethylhexacosa-2,6,9,11,13,15,17,19,21,23,25-undecaen-8-one, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Kingdom Organic compounds
Description Oleoresins are semi-solid extracts composed of a resin in solution in an essential and/or fatty oil, obtained by evaporation of the solvent(s) used for their production. Naturally occurring oleoresins are also known as balsams . Oleoresin can be found in flaxseed, which makes oleoresin a potential biomarker for the consumption of this food product.
Exact Mass 2631.91
Formal Charge 0.0
Monoisotopic Mass 2630.91
Isotope Atom Count 0.0
Molecular Complexity 5650.0
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 2633.0
Database Name fooddb_chem_all;hmdb_chem_all;pubchem
Covalent Unit Count 5.0
Defined Atom Stereocenter Count 0.0
Iupac Name (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide, (6E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,6,11,15,20,24-hexamethylhexacosa-2,6,9,11,13,15,17,19,21,23,25-undecaen-8-one, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one, (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 38.0
Class Prenol lipids
Inchi InChI=1S/3C41H56O2.C40H56O3.C18H27NO3/c2*1-30(18-13-20-32(3)23-25-37-35(6)28-36(42)29-41(37,9)10)16-11-12-17-31(2)19-14-21-33(4)24-26-38(43)39-34(5)22-15-27-40(39,7)8, 1-31(2)16-13-23-36(7)28-38(42)26-24-34(5)21-14-19-32(3)17-11-12-18-33(4)20-15-22-35(6)25-27-40-37(8)29-39(43)30-41(40,9)10, 1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9, 1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h11-14,16-21,23-26,36,42H,15,22,27-29H2,1-10H3, 11-14,16-26,36,39,42H,15,27-29H2,1-10H3, 11-12,14-22,24-28,39,43H,13,23,29-30H2,1-10H3, 11-24,34-35,41-42H,25-28H2,1-10H3, 6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b2*12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+, 12-11+,19-14+,20-15+,26-24+,27-25+,32-17+,33-18+,34-21+,35-22+,36-28+, 12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+, 8-6+
Smiles CC1=C(C(CCC1)(C)C)C(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CC(CC2(C)C)O)C)/C)/C.CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)/C=C(\C)/CCC=C(C)C)/C)/C.CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C2C(=CCCC2(C)C)C)/C)/C.CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C2(CC(CC2(C)C)O)C)/C)/C.CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Superclass Lipids and lipid-like molecules
Defined Bond Stereocenter Count 38.0
Subclass Tetraterpenoids
Taxonomy Direct Parent Xanthophylls
Molecular Formula C181H251NO12

  • 1. Outgoing r'ship FOUND_IN to/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all
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