1.0 2010-04-08 22:08:16 UTC 2025-11-18 23:14:01 UTC FDB008822 Annomuricatin A Constituent of the seeds of Annona muricata (soursop). Annomuricatin A is found in fruits. C27H38N6O7 558.636 558.280197588 6-benzyl-12-(hydroxymethyl)-15-methyl-9-(propan-2-yl)-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone 6-benzyl-12-(hydroxymethyl)-9-isopropyl-15-methyl-tetradecahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone 173994-05-3 CC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CO)NC1=O InChI=1S/C27H38N6O7/c1-15(2)22-26(39)31-19(14-34)24(37)29-16(3)27(40)33-11-7-10-20(33)25(38)28-13-21(35)30-18(23(36)32-22)12-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-20,22,34H,7,10-14H2,1-3H3,(H,28,38)(H,29,37)(H,30,35)(H,31,39)(H,32,36) NTRKFALVAIXZGY-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. Cyclic peptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds Alpha amino acids and derivatives Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Cyclic carboximidic acids Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Tertiary carboxylic acid amides Alcohol Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Cyclic alpha peptide Cyclic carboximidic acid Hydrocarbon derivative Lactam Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Pyrrolidine Tertiary carboxylic acid amide logp -0.25 ALOGPS logs -3.17 ALOGPS solubility 3.80e-01 g/l ALOGPS melting_point Mp 285-287° logp -2 ChemAxon pka_strongest_acidic 10.39 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 6-benzyl-12-(hydroxymethyl)-15-methyl-9-(propan-2-yl)-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone ChemAxon average_mass 558.636 ChemAxon mono_mass 558.280197588 ChemAxon smiles CC(C)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CO)NC1=O ChemAxon formula C27H38N6O7 ChemAxon inchi InChI=1S/C27H38N6O7/c1-15(2)22-26(39)31-19(14-34)24(37)29-16(3)27(40)33-11-7-10-20(33)25(38)28-13-21(35)30-18(23(36)32-22)12-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-20,22,34H,7,10-14H2,1-3H3,(H,28,38)(H,29,37)(H,30,35)(H,31,39)(H,32,36) ChemAxon inchikey NTRKFALVAIXZGY-UHFFFAOYSA-N ChemAxon polar_surface_area 186.04 ChemAxon refractivity 142.14 ChemAxon polarizability 57.02 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 52269 Specdb::MsMs 52270 Specdb::MsMs 52271 Specdb::MsMs 175362 Specdb::MsMs 175363 Specdb::MsMs 175364 Specdb::MsMs 3604777 Specdb::MsMs 3604778 Specdb::MsMs 3604779 Specdb::MsMs 3604780 Specdb::MsMs 3604781 Specdb::MsMs 3604782 Fruits Unknown generic