Tetradecanoic Acid Details
:
IUPAC Name
tetradecanoic acid
:Chemical Class
:CAS Registry Number
544-63-8
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 11005 |
| Molecular Weight (g/mol) | 228.371 |
| Molecular Formula | C14H28O2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| IUPAC Name | tetradecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O |
| PUBCHEM IUPAC INCHIKEY | TUNFSRHWOTWDNC-UHFFFAOYSA-N |
| Solubility Level | 2 |
| Vapour Pressure | -5.046 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 37.3 |
| BBB Level | 0 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 5.48 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 6.2898 g/kg_body_weight |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Moderate |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 544-63-8 | ALB | Bos taurus | Myristic Acid inhibits the reaction [Cobalt binds to ALB protein] | affects^binding|decreases^reaction | 22519414 |
| 2 | 544-63-8 | ALB | Homo sapiens | ALB protein binds to Myristic Acid | affects^binding | 25451573 |
| 3 | 544-63-8 | ALB | Homo sapiens | [ALB protein binds to Myristic Acid] promotes the reaction [ALB protein results in increased reduction of Dithionitrobenzoic Acid] | affects^binding|increases^reaction|increases^reduction | 25451573 |
| 4 | 544-63-8 | ALB | Homo sapiens | [ALB protein binds to Myristic Acid] promotes the reaction [Pyruvaldehyde results in increased oxidation of ALB protein] | affects^binding|increases^oxidation|increases^reaction | 25451573 |
| 5 | 544-63-8 | ALB | Homo sapiens | [ALB protein modified form binds to Myristic Acid] which results in decreased reduction of Dithionitrobenzoic Acid | affects^binding|decreases^reduction | 25451573 |
| 6 | 544-63-8 | DHRS4 | Canis lupus familiaris | Myristic Acid results in decreased activity of DHRS4 protein | decreases^activity | 17827741 |
| 7 | 544-63-8 | PPARA | Homo sapiens | Myristic Acid binds to PPARA protein | affects^binding | 10403814 |
| 8 | 544-63-8 | PPARGC1A | Homo sapiens | Myristic Acid results in increased expression of PPARGC1A mRNA | increases^expression | 23056435 |
| 9 | 544-63-8 | TTR | Myristic Acid inhibits the reaction [8-anilino-1-naphthalenesulfonic acid binds to TTR protein] | affects^binding|decreases^reaction | 22859314 | |
| 10 | 544-63-8 | ALB | Bos taurus | Myristic Acid inhibits the reaction [Cobalt binds to ALB protein] | affects^binding|decreases^reaction | 22519414 |
| 11 | 544-63-8 | ALB | Homo sapiens | ALB protein binds to Myristic Acid | affects^binding | 25451573 |
| 12 | 544-63-8 | ALB | Homo sapiens | [ALB protein binds to Myristic Acid] promotes the reaction [ALB protein results in increased reduction of Dithionitrobenzoic Acid] | affects^binding|increases^reaction|increases^reduction | 25451573 |
| 13 | 544-63-8 | ALB | Homo sapiens | [ALB protein binds to Myristic Acid] promotes the reaction [Pyruvaldehyde results in increased oxidation of ALB protein] | affects^binding|increases^oxidation|increases^reaction | 25451573 |
| 14 | 544-63-8 | ALB | Homo sapiens | [ALB protein modified form binds to Myristic Acid] which results in decreased reduction of Dithionitrobenzoic Acid | affects^binding|decreases^reduction | 25451573 |
| 15 | 544-63-8 | DHRS4 | Canis lupus familiaris | Myristic Acid results in decreased activity of DHRS4 protein | decreases^activity | 17827741 |
| 16 | 544-63-8 | PPARA | Homo sapiens | Myristic Acid binds to PPARA protein | affects^binding | 10403814 |
| 17 | 544-63-8 | PPARGC1A | Homo sapiens | Myristic Acid results in increased expression of PPARGC1A mRNA | increases^expression | 23056435 |
| 18 | 544-63-8 | TTR | Myristic Acid inhibits the reaction [8-anilino-1-naphthalenesulfonic acid binds to TTR protein] | affects^binding|decreases^reaction | 22859314 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 544-63-8 | Tetradecanoic Acid |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Blackcurrant | Ribes nigrum essential oil | ||
| 2 | Sitafal | Annona cherimola essential oil | ||
| 3 | Sitafal | Annona cherimola essential oil | ||
| 4 | Sitafal | Annona cherimola essential oil | ||
| 5 | Custard apple | Annona reticulata essential oil | ||
| 6 | Plymouth thistle | Carduus pycnocephalus essential oil |
Compound Image
2D Structure
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