1.0 2010-04-08 22:15:18 UTC 2025-11-19 02:34:07 UTC FDB020851 Ternatin heptapeptide Isolated from culture fluids of Didymocladium ternatum. Agent for control of rust diseases in grain stocks (-)-Ternatin 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one 5,4'-Dihydroxy-3,7,8,3'-tetramethoxyflavone Cyclo(-oh-leu-ile-(nme)ala-(nme)leu-leu-(nme)ala-(nme)ala-) Gossypetin 3,7,8,3'-tetramethyl ether Heptazacyclohenicosane-2,5,8,11,14,17,20-heptone Ternatin a1 Ternatin heptapeptide C37H67N7O8 737.97 737.505112155 (3S,6S,9S,12S,15R,18R,21R)-15-[(2S)-butan-2-yl]-8,17,20-trihydroxy-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,16,19-triene-2,5,11,14-tetrone (3S,6S,9S,12S,15R,18R,21R)-15-[(2S)-butan-2-yl]-8,17,20-trihydroxy-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,16,19-triene-2,5,11,14-tetrone 148619-41-4 [H][C@@]1(NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@]([H])(NC1=O)[C@@H](C)CC)[C@H](O)C(C)C InChI=1S/C37H67N7O8/c1-16-22(8)28-37(52)43(14)25(11)35(50)44(15)27(18-20(4)5)32(47)38-26(17-19(2)3)36(51)42(13)24(10)34(49)41(12)23(9)31(46)40-29(33(48)39-28)30(45)21(6)7/h19-30,45H,16-18H2,1-15H3,(H,38,47)(H,39,48)(H,40,46)/t22-,23+,24-,25-,26-,27-,28+,29+,30+/m0/s1 ZMFVAIFXJWEOMH-PTPSPKLBSA-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. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Alpha amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Lactams Macrolactams Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols Secondary carboxylic acid amides Tertiary carboxylic acid amides Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid or derivatives Alpha-oligopeptide Azacycle Carbonyl group Carboxamide group Hydrocarbon derivative Lactam Macrolactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol Secondary carboxylic acid amide Tertiary carboxylic acid amide logp 3.16 ALOGPS logs -4.33 ALOGPS solubility 3.45e-02 g/l ALOGPS logp 3.7 ChemAxon pka_strongest_acidic 3.51 ChemAxon pka_strongest_basic 1.54 ChemAxon iupac (3S,6S,9S,12S,15R,18R,21R)-15-[(2S)-butan-2-yl]-8,17,20-trihydroxy-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-7,16,19-triene-2,5,11,14-tetrone ChemAxon average_mass 737.97 ChemAxon mono_mass 737.505112155 ChemAxon smiles [H][C@@]1(NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@]([H])(NC1=O)[C@@H](C)CC)[C@H](O)C(C)C ChemAxon formula C37H67N7O8 ChemAxon inchi InChI=1S/C37H67N7O8/c1-16-22(8)28-37(52)43(14)25(11)35(50)44(15)27(18-20(4)5)32(47)38-26(17-19(2)3)36(51)42(13)24(10)34(49)41(12)23(9)31(46)40-29(33(48)39-28)30(45)21(6)7/h19-30,45H,16-18H2,1-15H3,(H,38,47)(H,39,48)(H,40,46)/t22-,23+,24-,25-,26-,27-,28+,29+,30+/m0/s1 ChemAxon inchikey ZMFVAIFXJWEOMH-PTPSPKLBSA-N ChemAxon polar_surface_area 199.24 ChemAxon refractivity 198.14 ChemAxon polarizability 80.81 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3642006 Specdb::MsMs 3642007 Specdb::MsMs 3642008 Specdb::MsMs 3642009 Specdb::MsMs 3642010 Specdb::MsMs 3642011 Specdb::NmrOneD 248888 Specdb::NmrOneD 248889 Specdb::NmrOneD 248890 Specdb::NmrOneD 248891 Specdb::NmrOneD 248892 Specdb::NmrOneD 248893 Specdb::NmrOneD 248894 Specdb::NmrOneD 248895 Specdb::NmrOneD 248896 Specdb::NmrOneD 248897 Specdb::NmrOneD 248898 Specdb::NmrOneD 248899 Specdb::NmrOneD 248900 Specdb::NmrOneD 248901 Specdb::NmrOneD 248902 Specdb::NmrOneD 248903 Specdb::NmrOneD 248904 Specdb::NmrOneD 248905 Specdb::NmrOneD 248906 Specdb::NmrOneD 248907 Specdb::CMs 1084499 HMDB40991 #<Reference:0x000055ce3220c960> #<Reference:0x000055ce3220c730>