Cardanolmonoene
PubChem CID: 5315696
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| Compound Synonyms | Cardanolmonoene, 3-[(E)-pentadec-8-enyl]phenol, 3-(8-pentadecenyl)phenol, Cardanol15:1, 3-(8-Pentadecenyl)-(Z)-Phenol, 3-[(8E)-pentadec-8-en-1-yl]phenol, 3-((E)-pentadec-8-enyl)phenol, 3-((8E)-pentadec-8-en-1-yl)phenol, ANACARDOL, 3-(8-pentadecenyl)-phenol, CHEBI:180808 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Cardanolmonoene is a member of the class of compounds known as 1-hydroxy-4-unsubstituted benzenoids. 1-hydroxy-4-unsubstituted benzenoids are phenols that are unsubstituted at the 4-position. Cardanolmonoene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cardanolmonoene can be found in cashew nut, fats and oils, and nuts, which makes cardanolmonoene a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 259.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(E)-pentadec-8-enyl]phenol |
| Nih Violation | False |
| Class | Benzene and substituted derivatives |
| Xlogp | 8.5 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Phenols and derivatives |
| Molecular Formula | C21H34O |
| Inchi Key | YLKVIMNNMLKUGJ-BQYQJAHWSA-N |
| Rotatable Bond Count | 13.0 |
| Synonyms | 3-(8-Pentadecenyl)-(Z)-phenol, 3-(8-Pentadecenyl)phenol, Anacardol, Cardanol15:1, Cardanolmonoene, Ginkgol, Phenol, 3-(8-pentadecenyl)-, (Z)- |
| Substituent Name | Phenol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Compound Name | Cardanolmonoene |
| Kingdom | Organic compounds |
| Exact Mass | 302.261 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 302.261 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 302.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C21H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h7-8,15,17-19,22H,2-6,9-14,16H2,1H3/b8-7+ |
| Smiles | CCCCCC/C=C/CCCCCCCC1=CC(=CC=C1)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | 1-hydroxy-4-unsubstituted benzenoids |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:fooddb_chem_all