Oryzarol
PubChem CID: 58114970
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| Compound Synonyms | Oryzarol, eugenol palmitate, SCHEMBL951307, CHEMBL4174770, CHEBI:172645, (2-methoxy-4-prop-2-enylphenyl) hexadecanoate, 2-methoxy-4-(prop-2-en-1-yl)phenyl hexadecanoate |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Description | Isolated from rice straw(Oryza sativa). Oryzarol is found in cereals and cereal products and rice. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-methoxy-4-prop-2-enylphenyl) hexadecanoate |
| Nih Violation | True |
| Class | Benzene and substituted derivatives |
| Xlogp | 10.0 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Phenol esters |
| Molecular Formula | C26H42O3 |
| Inchi Key | QZCTXVLQHKKTGL-UHFFFAOYSA-N |
| Rotatable Bond Count | 19.0 |
| State | Solid |
| Synonyms | Eugenol palmitate, Oryzarol, 2-Methoxy-4-(prop-2-en-1-yl)phenyl hexadecanoic acid |
| Substituent Name | Phenol ester, Phenylpropene, Methoxybenzene, Phenol ether, Anisole, Alkyl aryl ether, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Oryzarol |
| Kingdom | Organic compounds |
| Exact Mass | 402.313 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 402.313 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 402.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C26H42O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26(27)29-24-21-20-23(18-5-2)22-25(24)28-3/h5,20-22H,2,4,6-19H2,1,3H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)CC=C)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenol esters |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all