| Identification |
|---|
| YMDB ID | YMDB02310 |
|---|
| Name | Tehydroabietic acid |
|---|
| Species | Saccharomyces cerevisiae |
|---|
| Strain | Baker's yeast |
|---|
| Description | Tehydroabietic acid, also known as tehydroabietate, belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Tehydroabietic acid is a weakly acidic compound (based on its pKa). |
|---|
| Structure | |
|---|
| Synonyms | - (-)-Dehydroabietic acid
- 1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid
- 13-Isopropylpodocarpa-8,11,13-trien-15-oic acid
- Abieta-8,11,13-trien-18-oic acid
- Dehydroabietate
- Dehydroabietic acid
- DHA
- Tehydroabietate
|
|---|
| CAS number | 1740-19-8 |
|---|
| Weight | Average: 300.4351
Monoisotopic: 300.20893014 |
|---|
| InChI Key | NFWKVWVWBFBAOV-IHPCNDPISA-N |
|---|
| InChI | InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m0/s1 |
|---|
| IUPAC Name | (1S,4aR,10aS)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid |
|---|
| Traditional IUPAC Name | (1S,4aR,10aS)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
|---|
| Chemical Formula | C20H28O2 |
|---|
| SMILES | CC(C)C1=CC=C2C(CC[C@@H]3[C@](C)(CCC[C@@]23C)C(O)=O)=C1 |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Prenol lipids |
|---|
| Sub Class | Diterpenoids |
|---|
| Direct Parent | Diterpenoids |
|---|
| Alternative Parents | |
|---|
| Substituents | - Diterpenoid
- Abietane diterpenoid
- Phenanthrene
- Hydrophenanthrene
- Tetralin
- Benzenoid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homopolycyclic compound
|
|---|
| Molecular Framework | Aromatic homopolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Charge | 0 |
|---|
| Melting point | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Water Solubility | 0.0066 mg/mL [KUKKONEN,J & OIKARI,A (1991)] | PhysProp | | LogP | 4.80 [KUKKONEN,J & OIKARI,A (1991)] | PhysProp |
|
|---|
| Predicted Properties | |
|---|
| Biological Properties |
|---|
| Cellular Locations | Not Available |
|---|
| Organoleptic Properties | Not Available |
|---|
| SMPDB Pathways | Not Available |
|---|
| KEGG Pathways | Not Available |
|---|
| SMPDB Reactions | Not Available |
|---|
| KEGG Reactions | Not Available |
|---|
| Concentrations |
|---|
| Intracellular Concentrations | Not Available |
|---|
| Extracellular Concentrations | Not Available |
|---|
| Spectra |
|---|
| Spectra | |
|---|
| References |
|---|
| References: | - Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). "Growth control of the eukaryote cell: a systems biology study in yeast." J Biol 6:4.17439666
|
|---|
| Synthesis Reference: | Not Available |
|---|
| External Links: | | Resource | Link |
|---|
| CHEBI ID | 29571 | | HMDB ID | Not Available | | Pubchem Compound ID | 15618 | | Kegg ID | C12078 | | ChemSpider ID | Not Available | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
|
|---|
