Avocadenofuran
PubChem CID: 6857792
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| Compound Synonyms | AVOCADENOFURAN, 25346-24-1, SDCCGMLS-0066904.P001, 2-tridec-12-enyluran, 2-(trideca-12-enyl)furan, SPECTRUM1505807, 2-(12-Tridecen-1-yl)furan, SCHEMBL2606224, CHEMBL1608830, CHEBI:178694, DTXSID101312166, CCG-214476, 2-(TRIDEC-12-EN-1-YL)FURAN, NCGC00095829-01, SR-05000002495, SR-05000002495-1, Q67879706 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | C=CCCCCCCCCCCCcccco5 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Constituent of avocado. Avocadenofuran is found in avocado and fruits. |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-tridec-12-enylfuran |
| Class | Heteroaromatic compounds |
| Veber Rule | False |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 7.1 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H28O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | KNKVJBRMGKXDGO-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 4-((8-Phenyloctyl)oxy)-m-anisidine, Avocadenofuran, m-Anisidine, 4-((8-phenyloctyl)oxy)-, avocadenofuran |
| Esol Class | Moderately soluble |
| Functional Groups | C=CC, coc |
| Compound Name | Avocadenofuran |
| Kingdom | Organic compounds |
| Exact Mass | 248.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 248.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18-17/h2,13,15-16H,1,3-12,14H2 |
| Smiles | C=CCCCCCCCCCCCC1=CC=CO1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all