1.0 2010-04-08 22:09:47 UTC 2019-11-26 03:05:18 UTC FDB011701 Glabrin D Constituent of the seeds of Annona glabra (pond apple). Glabrin D is found in alcoholic beverages and fruits. C36H49N7O10 739.8152 739.354090823 3-{21-[(4-hydroxyphenyl)methyl]-2,8,11,17,20,23,26-heptaoxo-24-(propan-2-yl)-1,7,10,16,19,22,25-heptaazatetracyclo[25.3.0.0³,⁷.0¹²,¹⁶]triacontan-9-yl}propanoic acid 3-{21-[(4-hydroxyphenyl)methyl]-24-isopropyl-2,8,11,17,20,23,26-heptaoxo-1,7,10,16,19,22,25-heptaazatetracyclo[25.3.0.0³,⁷.0¹²,¹⁶]triacontan-9-yl}propanoic acid CC(C)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CCC(O)=O)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC2=CC=C(O)C=C2)NC1=O InChI=1S/C36H49N7O10/c1-20(2)30-34(51)39-24(18-21-9-11-22(44)12-10-21)31(48)37-19-28(45)41-15-3-6-25(41)32(49)38-23(13-14-29(46)47)35(52)43-17-5-8-27(43)36(53)42-16-4-7-26(42)33(50)40-30/h9-12,20,23-27,30,44H,3-8,13-19H2,1-2H3,(H,37,48)(H,38,49)(H,39,51)(H,40,50)(H,46,47) HUBKEBDFQLHLMX-UHFFFAOYSA-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 Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha amino acids and derivatives Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Cyclic peptides Hydrocarbon derivatives Lactams Macrolactams Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrrolidines Secondary carboxylic acid amides Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid or derivatives Alpha-oligopeptide Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Cyclic alpha peptide Hydrocarbon derivative Lactam Macrolactam Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Pyrrolidine Secondary carboxylic acid amide Tertiary carboxylic acid amide logp 0.09 ALOGPS logs -2.51 ALOGPS solubility 2.30e+00 g/l ALOGPS melting_point Mp 219° logp -1.6 ChemAxon pka_strongest_acidic 4.01 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 3-{21-[(4-hydroxyphenyl)methyl]-2,8,11,17,20,23,26-heptaoxo-24-(propan-2-yl)-1,7,10,16,19,22,25-heptaazatetracyclo[25.3.0.0³,⁷.0¹²,¹⁶]triacontan-9-yl}propanoic acid ChemAxon average_mass 739.8152 ChemAxon mono_mass 739.354090823 ChemAxon smiles CC(C)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CCC(O)=O)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC2=CC=C(O)C=C2)NC1=O ChemAxon formula C36H49N7O10 ChemAxon inchi InChI=1S/C36H49N7O10/c1-20(2)30-34(51)39-24(18-21-9-11-22(44)12-10-21)31(48)37-19-28(45)41-15-3-6-25(41)32(49)38-23(13-14-29(46)47)35(52)43-17-5-8-27(43)36(53)42-16-4-7-26(42)33(50)40-30/h9-12,20,23-27,30,44H,3-8,13-19H2,1-2H3,(H,37,48)(H,38,49)(H,39,51)(H,40,50)(H,46,47) ChemAxon inchikey HUBKEBDFQLHLMX-UHFFFAOYSA-N ChemAxon polar_surface_area 234.86 ChemAxon refractivity 186.04 ChemAxon polarizability 75.11 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73587 Specdb::MsMs 73588 Specdb::MsMs 73589 Specdb::MsMs 132801 Specdb::MsMs 132802 Specdb::MsMs 132803 Specdb::MsMs 2835618 Specdb::MsMs 2835619 Specdb::MsMs 2835620 Specdb::MsMs 2873426 Specdb::MsMs 2873427 Specdb::MsMs 2873428 Specdb::NmrOneD 121058 Specdb::NmrOneD 121059 Specdb::NmrOneD 121060 Specdb::NmrOneD 121061 Specdb::NmrOneD 121062 Specdb::NmrOneD 121063 Specdb::NmrOneD 121064 Specdb::NmrOneD 121065 Specdb::NmrOneD 121066 Specdb::NmrOneD 121067 Specdb::NmrOneD 121068 Specdb::NmrOneD 121069 Specdb::NmrOneD 121070 Specdb::NmrOneD 121071 Specdb::NmrOneD 121072 Specdb::NmrOneD 121073 Specdb::NmrOneD 121074 Specdb::NmrOneD 121075 Specdb::NmrOneD 121076 Specdb::NmrOneD 121077 Specdb::CMs 70089 Specdb::CMs 768981 Specdb::CMs 768982 Specdb::CMs 768983 Specdb::CMs 768984 Specdb::CMs 768985 Specdb::CMs 768986 Specdb::CMs 768987 Specdb::CMs 768988 Specdb::CMs 768989 Specdb::CMs 768990 Specdb::CMs 768991 Specdb::CMs 768992 Specdb::CMs 768993 Specdb::CMs 768994 Specdb::CMs 768995 Specdb::CMs 768996 Specdb::CMs 768997 Specdb::CMs 768998 Specdb::CMs 768999 Specdb::CMs 769000 Specdb::CMs 769001 Specdb::CMs 769002 Specdb::CMs 769003 Specdb::CMs 769004 HMDB33613 #<Reference:0x000055ce331193e0> Alcoholic beverages Unknown generic Fruits Unknown generic