Juniperonic acid
PubChem CID: 5312543
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| Compound Synonyms | juniperonic acid, (5Z,11Z,14Z,17Z)-icosatetraenoic acid, C20:4n-3,6,9,15, 5Z,11Z,14Z,17Z-eicosatetraenoic acid, (5Z,11Z,14Z,17Z)-icosa-5,11,14,17-tetraenoic acid, CHEBI:82835, all-cis-5,11,14,17-eicosatetraenoic acid, 18016-45-0, (5Z,11Z,14Z,17Z)-5,11,14,17-Eicosatetraenoic Acid, LMFA01030394, SCHEMBL6119205, 5(Z),11(Z),14(Z),17(Z)-EICOSATETRAENOIC ACID, 5Z,11Z,14Z,17Z-Eicosatetraenoate, HY-W718408, (5Z,11Z,14Z,17Z)-eicosatetraenoic acid, all-cis-5,11,14,17-icosatetraenoic acid, NS00116320, (all-Z)-5,11,14,17-Eicosatetraenoic acid, FA(20:4(5Z,11Z,14Z,17Z)), Q27156397 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CC/C=CC/C=CC/C=CCCCC/C=CCCCC=O)O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 362.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,11Z,14Z,17Z)-icosa-5,11,14,17-tetraenoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H32O2 |
| Inchi Key | JDKIKEYFSJUYJZ-OUJQXAOTSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | (5z,11z,14z,17z)-5,11,14,17-eicosatetraenoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CC(=O)O |
| Compound Name | Juniperonic acid |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15- |
| Smiles | CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 4.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Caltha Palustris (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729