Isoavocadienofuran
PubChem CID: 90471631
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| Compound Synonyms | Isoavocadienofuran, ((2-methoxyphenyl)amino)-Acetonitrile, 2-((2E)-trideca-2,12-dienyl)furan, 2-[(2E)-trideca-2,12-dienyl]furan, 34227-09-3, Furan, 2-(2,12-tridecadienyl)-, 8KM59SU9K7, CHEBI:196584, 2-[(2E)-trideca-2,12-dienyl]uran |
|---|---|
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Description | Component of Avocatin X, a constituent of the seeds of Persea gratissima (avocado). Isoavocadienofuran is found in avocado and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2E)-trideca-2,12-dienyl]furan |
| Nih Violation | True |
| Class | Heteroaromatic compounds |
| Xlogp | 6.6 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C17H26O |
| Inchi Key | MSYUAPLTGWCVMJ-VAWYXSNFSA-N |
| Rotatable Bond Count | 11.0 |
| Synonyms | ((2-Methoxyphenyl)amino)-acetonitrile, Acetonitrile, ((2-methoxyphenyl)amino)-, Acetonitrile, o-anisidino-, Isoavocadienofuran, O-Anisidino-acetonitrile, O-anisidinoacetonitrile, O-anisidino-Acetonitrile, O-Anisidinoacetonitrile |
| Substituent Name | Heteroaromatic compound, Furan, Oxacycle, Hydrocarbon derivative, Organooxygen compound, Aromatic heteromonocyclic compound |
| Compound Name | Isoavocadienofuran |
| Kingdom | Organic compounds |
| Exact Mass | 246.198 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 246.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 246.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,11-13,15-16H,1,3-10,14H2/b12-11+ |
| Smiles | C=CCCCCCCCC/C=C/CC1=CC=CO1 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Heteroaromatic compounds |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all