Hydnocarpic acid
PubChem CID: 164601
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| Compound Synonyms | Hydnocarpic acid, 459-67-6, (R)-hydnocarpic acid, 11-(2-Cyclopenten-1-yl)undecanoic acid, 11-[(1R)-cyclopent-2-en-1-yl]undecanoic acid, UNII-84492ZS09R, D-HYDNOCARPICACID, (R)-2-cyclopentene-1-undecanoic acid, 84492ZS09R, HYDNOCARPIC ACID [MI], 11-((R)-Cyclopent-2-enyl)-undecansaeure, (R)-11-(cyclopent-2-enyl)hendecanoic acid, CHEBI:61675, DTXSID30196647, 2-Cyclopentene-1-undecanoic acid, (1R)-, Hydnocarpsaeure, CHEBI:61671, Hydnocarpate, 11-Cyclopent-2-enyl-undecansaeure, 11-cyclopent-2-enyl-undecanoic acid, (R)-Hydnocarpate, 11-Cp 11:0, 11-(2-Cyclopenten-1-yl)undecanoic acid, (+)-, 2-Cyclopentene-1-undecanoate, Hydnocarpic acid, sodium salt, SCHEMBL580438, 11-Cyclopent-2-enyl-undecanoate, DTXCID70119138, (R)-2-Cyclopentene-1-undecanoate, 11-(Cyclopent-2-enyl)hendecanoate, (R)-11-(Cyclopent-2-enyl)hendecanoate, Q27131272 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 11-[(1R)-cyclopent-2-en-1-yl]undecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C16H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SRELFLQJDOTNLJ-HNNXBMFYSA-N |
| Fcsp3 | 0.8125 |
| Logs | -4.444 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.213 |
| Compound Name | Hydnocarpic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 252.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3958676 |
| 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)/t15-/m0/s1 |
| Smiles | C1C[C@H](C=C1)CCCCCCCCCCC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taxus Cuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all