Linderic acid
PubChem CID: 5316956
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| Compound Synonyms | Linderic acid, cis-4-Dodecenoic acid, (Z)-dodec-4-enoic acid, 7089-43-2, 4-Dodecenoic acid, (Z)-, (4Z)-Dodecenoic acid, (Z)-4-Dodecenoic acid, UNII-18013PJU2H, 18013PJU2H, 12:1(N-8), (4Z)-DODEC-4-ENOIC ACID, cis-4-Dodecenoate, SCHEMBL371504, CHEBI:179201, GCORITRBZMICMI-HJWRWDBZSA-N, Q27251953 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCC/C=CCCC=O)O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-dodec-4-enoic acid |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GCORITRBZMICMI-HJWRWDBZSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.75 |
| Logs | -5.521 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.92 |
| Synonyms | cis-dodec-4-enoic acid |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC(=O)O |
| Compound Name | Linderic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.022447599999999 |
| Inchi | InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-9H,2-7,10-11H2,1H3,(H,13,14)/b9-8- |
| Smiles | CCCCCCC/C=C\CCC(=O)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751559 - 3. Outgoing r'ship
FOUND_INto/from Litsea Pungens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all