1.0 2010-04-08 22:13:04 UTC 2019-11-26 03:14:47 UTC FDB017395 Acoric acid Constituent of Acorus calamus (sweet flag) [DFC]. Acoric acid is found in herbs and spices and root vegetables. 2-(L-Phenylalanine)-8-L-lysinevasopressin 2-L-Phenylalanine-8-L-lysine-vasopressin Felipresina Felipressina Felypressin Felypressine Felypressinum Octapressin Octopressin Phelypressin Phenylalanine lysine vasopressin PLV-2 Vasopressin, phenylalanyl-lysyl C15H24O4 268.3487 268.167459256 (3S)-3-[(1S,4R)-4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid (3S)-3-[(1S,4R)-4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid 5956-06-9 CC(C)C(=O)[C@]1(CC[C@@H](C)C(=O)C1)[C@@H](C)CC(O)=O InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)/t10-,11+,15+/m1/s1 ZIOCYJNRYIRTQD-ZETOZRRWSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Carbocyclic fatty acids Carboxylic acids Cyclic ketones Hydrocarbon derivatives Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Branched fatty acid Carbocyclic fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Fatty acid Fatty acyl Hydrocarbon derivative Ketone Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 2.50 ALOGPS logs -2.99 ALOGPS solubility 2.76e-01 g/l ALOGPS melting_point Mp 166-168° logp 3.24 ChemAxon pka_strongest_acidic 4.64 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac (3S)-3-[(1S,4R)-4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid ChemAxon average_mass 268.3487 ChemAxon mono_mass 268.167459256 ChemAxon smiles CC(C)C(=O)[C@]1(CC[C@@H](C)C(=O)C1)[C@@H](C)CC(O)=O ChemAxon formula C15H24O4 ChemAxon inchi InChI=1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)/t10-,11+,15+/m1/s1 ChemAxon inchikey ZIOCYJNRYIRTQD-ZETOZRRWSA-N ChemAxon polar_surface_area 71.44 ChemAxon refractivity 71.73 ChemAxon polarizability 29.33 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20252 Specdb::CMs 45708 Specdb::CMs 162520 Specdb::MsMs 69423 Specdb::MsMs 69424 Specdb::MsMs 69425 Specdb::MsMs 127698 Specdb::MsMs 127699 Specdb::MsMs 127700 Specdb::MsMs 2272635 Specdb::MsMs 2272636 Specdb::MsMs 2272637 Specdb::MsMs 3070212 Specdb::MsMs 3070213 Specdb::MsMs 3070214 HMDB38165 #<Reference:0x000055ce33022360> #<Reference:0x000055ce33022040> Herbs and Spices Unknown generic Root vegetables Unknown generic