Hydnocarpic acid, (+/-)-
PubChem CID: 110680
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| Compound Synonyms | 2-Cyclopentene-1-undecanoic acid, Hydnocarpic acid, DL-Hydnocarpic acid, Hydnocarpic acid, (+/-)-, NSC-313950, Hydnocarpic acid DL-form [MI], 94300-40-0, d-Hydnocarpic acid, UNII-U88T2W388K, U88T2W388K, 11-(cyclopent-2-enyl)hendecanoic acid, 11-cyclopent-2-en-1-ylundecanoic acid, NSC51168, NSC313950, 11-(2-cyclopentenyl)-undecanoic acid, Hydnocarpsaeure, CHEBI:61671, 11-Cyclopent-2-enyl-undecansaeure, 11-cyclopent-2-enyl-undecanoic acid, 11-Cp 11:0, 11-(2-Cyclopenten-1-yl)undecanoic acid, (+)-, (+/-)-hydnocarpic acid, HYDNOCARPIC ACID,(D), SCHEMBL580439, AAA45967, 11-(2-cyclopentenyl)undecanoic acid, LMFA01140023, NSC-51168, 11-(2-Cyclopenten-1-yl)undecanoic acid #, Q2823268 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Carbocyclic fatty acids |
| Deep Smiles | OC=O)CCCCCCCCCCCCCC=C5 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Scaffold Graph Node Level | C1CCCC1 |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-cyclopent-2-en-1-ylundecanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H28O2 |
| Scaffold Graph Node Bond Level | C1=CCCC1 |
| Inchi Key | SRELFLQJDOTNLJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | hydnocarpic, hydnocarpic acid, hydnocarpic-acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O, CC=CC |
| Compound Name | Hydnocarpic acid, (+/-)- |
| Exact Mass | 252.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 252.39 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18) |
| Smiles | C1CC(C=C1)CCCCCCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Hydnocarpus Alpina (Plant) Rel Props:Reference:ISBN:9788172362300 - 2. Outgoing r'ship
FOUND_INto/from Hydnocarpus Anthelminthica (Plant) Rel Props:Reference:ISBN:9788172361266 - 3. Outgoing r'ship
FOUND_INto/from Hydnocarpus Kurzii (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 4. Outgoing r'ship
FOUND_INto/from Hydnocarpus Wightianus (Plant) Rel Props:Reference:ISBN:9788172361266; ISBN:9788172363178