1.02010-04-08 22:04:33 UTC2019-11-26 02:54:43 UTCFDB000396Mucronine DAlkaloid from the stem bark of Zizyphus jujuba (Chinese date) and Zizyphus jujuba variety inermis. Mucronine D is found in fruits.Daechuine S9Mucronine aC37H51N5O6661.8307661.383934389N-{1-[(13Z)-10-(butan-2-yl)-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanamide2-(dimethylamino)-N-{1-[(13Z)-16-methoxy-8,11-dioxo-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl}-3-phenylpropanamide38496-00-3CCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)N(C)C)OC2=CC=C(OC)C(=C2)\C=C/NC1=OInChI=1S/C37H51N5O6/c1-8-24(4)32-35(44)38-18-16-26-22-27(14-15-30(26)47-7)48-31-17-19-42(33(31)36(45)40-32)37(46)28(20-23(2)3)39-34(43)29(41(5)6)21-25-12-10-9-11-13-25/h9-16,18,22-24,28-29,31-33H,8,17,19-21H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)/b18-16-YTPWZBXRZAQHQB-VLGSPTGOSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.OligopeptidesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAromatic heteropolycyclic compoundsAlkyl aryl ethersAlpha amino acid amidesAmphetamines and derivativesAnisolesAralkylaminesAzacyclic compoundsCarbonyl compoundsCyclic peptidesFatty amidesHydrocarbon derivativesLactamsLeucine and derivativesMacrolactamsN-acyl-alpha amino acids and derivativesN-acylpyrrolidinesOrganic oxidesOrganopnictogen compoundsOxacyclic compoundsPhenylalanine and derivativesSecondary carboxylic acid amidesTertiary carboxylic acid amidesTrialkylaminesAlkyl aryl etherAlpha-amino acid amideAlpha-amino acid or derivativesAlpha-oligopeptideAmineAmino acid or derivativesAmphetamine or derivativesAnisoleAralkylamineAromatic heteropolycyclic compoundAzacycleBenzenoidCarbonyl groupCarboxamide groupCyclic alpha peptideEtherFatty acylFatty amideHydrocarbon derivativeLactamLeucine or derivativesMacrolactamMonocyclic benzene moietyN-acyl-alpha amino acid or derivativesN-acylpyrrolidineOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOxacyclePhenylalanine or derivativesPyrrolidineSecondary carboxylic acid amideTertiary aliphatic amineTertiary amineTertiary carboxylic acid amidelogp3.97logs-4.97solubility7.12e-03 g/llogp3.72pka_strongest_acidic10.99pka_strongest_basic7.24iupacN-{1-[(13Z)-10-(butan-2-yl)-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl}-2-(dimethylamino)-3-phenylpropanamideaverage_mass661.8307mono_mass661.383934389smilesCCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)N(C)C)OC2=CC=C(OC)C(=C2)\C=C/NC1=OformulaC37H51N5O6inchiInChI=1S/C37H51N5O6/c1-8-24(4)32-35(44)38-18-16-26-22-27(14-15-30(26)47-7)48-31-17-19-42(33(31)36(45)40-32)37(46)28(20-23(2)3)39-34(43)29(41(5)6)21-25-12-10-9-11-13-25/h9-16,18,22-24,28-29,31-33H,8,17,19-21H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)/b18-16-inchikeyYTPWZBXRZAQHQB-VLGSPTGOSA-Npolar_surface_area129.31refractivity184.2polarizability72.05rotatable_bond_count11acceptor_count7donor_count3physiological_charge1formal_charge0Specdb::MsMs92949Specdb::MsMs92950Specdb::MsMs92951Specdb::MsMs156654Specdb::MsMs156655Specdb::MsMs156656HMDB29335#<Reference:0x000055567640b470>FruitsUnknowngeneric