Avocadyne
PubChem CID: 3015189
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| Compound Synonyms | AVOCADYNE, 24607-05-4, heptadec-16-yne-1,2,4-triol, 16-Heptadecyne-1,2,4-triol, Heptadecane-16-yne-1,2,4-triol, KBio2_006118, 1,2,4-trihydroxyheptadec-16-yne, Spectrum_000502, Spectrum2_000528, Spectrum3_001136, Spectrum4_001983, Spectrum5_000238, Spectrum5_001722, BSPBio_002631, KBioGR_002512, KBioSS_000982, SPECTRUM1505234, SPBio_000515, CHEMBL443127, SCHEMBL1970908, KBio2_000982, KBio2_003550, KBio3_002131, DTXSID20947504, CHEBI:168507, HMS1923M03, ZAA60705, CCG-38718, LMFA05000643, AKOS040736046, NCGC00095269-01, NCGC00095269-02, NCGC00095269-03, NS00097471, SR-05000002544, SR-05000002544-1 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Description | Constituent of avocado (Persea americana). Avocadyne is found in avocado and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9Y6L6, Q9NPD5 |
| Iupac Name | heptadec-16-yne-1,2,4-triol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 4.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C17H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OHLQBKZXSJYBMK-UHFFFAOYSA-N |
| Fcsp3 | 0.8823529411764706 |
| Logs | -3.231 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 2.275 |
| Synonyms | Avocadyne |
| Compound Name | Avocadyne |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 284.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -3.382227999999999 |
| Inchi | InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2 |
| Smiles | C#CCCCCCCCCCCCC(CC(CO)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all