9-hydroxyundec-10-enoic Acid
PubChem CID: 10465398
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| Compound Synonyms | 9-hydroxyundec-10-enoic Acid, SCHEMBL7113665, CHEBI:132854 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | C=CCCCCCCCCC=O)O)))))))))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Hydroxy acids and derivatives |
| Classyfire Subclass | Medium-chain hydroxy acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-hydroxyundec-10-enoic acid |
| Prediction Hob | 1.0 |
| Class | Hydroxy acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 2.4 |
| Superclass | Organic acids and derivatives |
| Subclass | Medium-chain hydroxy acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CJUFNYIRKDOQMC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7272727272727273 |
| Rotatable Bond Count | 9.0 |
| Synonyms | Corchorifatty acid e, (S)-9-Hydroxy-10-undecenoate, 9-Hydroxyundec-10-enoate, corchorifatty acid e |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC(=O)O, CO |
| Compound Name | 9-hydroxyundec-10-enoic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 200.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.0060236 |
| Inchi | InChI=1S/C11H20O3/c1-2-10(12)8-6-4-3-5-7-9-11(13)14/h2,10,12H,1,3-9H2,(H,13,14) |
| Smiles | C=CC(CCCCCCCC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain hydroxy acids and derivatives |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Corchorus Olitorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all