1.0 2010-04-08 22:15:39 UTC 2019-11-26 03:20:17 UTC FDB021367 Sarcodon scabrosus Depsipeptide Isolated from the mushroom Sarcodon scabrosus of unknown palatability. Sarcodon scabrosus Depsipeptide is found in mushrooms. C23H39N3O8 485.5711 485.273715239 3-(butan-2-yl)-9-(1-hydroxyethyl)-12-methyl-6,15-bis(propan-2-yl)-1,7-dioxa-4,10,13-triazacyclopentadecane-2,5,8,11,14-pentone 9-(1-hydroxyethyl)-6,15-diisopropyl-12-methyl-3-(sec-butyl)-1,7-dioxa-4,10,13-triazacyclopentadecane-2,5,8,11,14-pentone CCC(C)C1NC(=O)C(OC(=O)C(NC(=O)C(C)NC(=O)C(OC1=O)C(C)C)C(C)O)C(C)C InChI=1S/C23H39N3O8/c1-9-12(6)15-22(31)33-17(10(2)3)20(29)24-13(7)19(28)26-16(14(8)27)23(32)34-18(11(4)5)21(30)25-15/h10-18,27H,9H2,1-8H3,(H,24,29)(H,25,30)(H,26,28) ZZZCVVSDKFDQJU-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Cyclic depsipeptides Organic compounds Organic acids and derivatives Peptidomimetics Depsipeptides Aliphatic heteromonocyclic compounds Alpha amino acid esters Azacyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Hydrocarbon derivatives Lactams Lactones Macrolactams Macrolide lactams Macrolides and analogues Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid ester Alpha-amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Cyclic depsipeptide Dicarboxylic acid or derivatives Hydrocarbon derivative Lactam Lactone Macrolactam Macrolide Macrolide lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary alcohol Secondary carboxylic acid amide logp 1.32 ALOGPS logs -2.86 ALOGPS solubility 6.77e-01 g/l ALOGPS logp 1.25 ChemAxon pka_strongest_acidic 10.41 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-(butan-2-yl)-9-(1-hydroxyethyl)-12-methyl-6,15-bis(propan-2-yl)-1,7-dioxa-4,10,13-triazacyclopentadecane-2,5,8,11,14-pentone ChemAxon average_mass 485.5711 ChemAxon mono_mass 485.273715239 ChemAxon smiles CCC(C)C1NC(=O)C(OC(=O)C(NC(=O)C(C)NC(=O)C(OC1=O)C(C)C)C(C)O)C(C)C ChemAxon formula C23H39N3O8 ChemAxon inchi InChI=1S/C23H39N3O8/c1-9-12(6)15-22(31)33-17(10(2)3)20(29)24-13(7)19(28)26-16(14(8)27)23(32)34-18(11(4)5)21(30)25-15/h10-18,27H,9H2,1-8H3,(H,24,29)(H,25,30)(H,26,28) ChemAxon inchikey ZZZCVVSDKFDQJU-UHFFFAOYSA-N ChemAxon polar_surface_area 160.13 ChemAxon refractivity 120.14 ChemAxon polarizability 50.3 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 297112 Specdb::MsMs 297113 Specdb::MsMs 297114 Specdb::MsMs 338548 Specdb::MsMs 338549 Specdb::MsMs 338550 Specdb::MsMs 2739904 Specdb::MsMs 2739905 Specdb::MsMs 2739906 Specdb::MsMs 2938749 Specdb::MsMs 2938750 Specdb::MsMs 2938751 Specdb::CMs 14101 Specdb::CMs 47311 Specdb::CMs 167914 HMDB41421 #<Reference:0x000055ce320ff220> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322