2-L-Phenylalanine-8-L-lysine-Vasopressin
PubChem CID: 25750964
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| Compound Synonyms | Acoric acid, 2-L-Phenylalanine-8-L-lysine-Vasopressin |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 71.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | Acorane sesquiterpenoids, Menthane monoterpenoids |
| Deep Smiles | OC=O)C[C@@H][C@@]CC[C@H]C=O)C6))C))))C=O)CC)C))))C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of Acorus calamus (sweet flag) [DFC]. Acoric acid is found in herbs and spices and root vegetables. |
| Scaffold Graph Node Level | OC1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P37288 |
| Iupac Name | (3S)-3-[(1S,4R)-4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O4 |
| Scaffold Graph Node Bond Level | O=C1CCCCC1 |
| Inchi Key | ZIOCYJNRYIRTQD-ZETOZRRWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 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, Acate, Acic acid, (3S)-3-[(1S,4R)-4-Methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoate, Acoric acid, acoric acid, acoric-acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CC(C)=O |
| Compound Name | 2-L-Phenylalanine-8-L-lysine-Vasopressin |
| Kingdom | Organic compounds |
| Exact Mass | 268.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| 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 |
| Smiles | C[C@@H]1CC[C@](CC1=O)([C@@H](C)CC(=O)O)C(=O)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Np Classifier Superclass | Sesquiterpenoids, Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279