2-(5-Hydroxy-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
Internal ID | 2743d596-b046-4a9d-9092-0914b16f7f18 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
IUPAC Name | 2-(5-hydroxy-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid |
SMILES (Canonical) | CC1CCC(C2=CC(=O)C(=CC12C)C(C)C(=O)O)O |
SMILES (Isomeric) | CC1CCC(C2=CC(=O)C(=CC12C)C(C)C(=O)O)O |
InChI | InChI=1S/C15H20O4/c1-8-4-5-12(16)11-6-13(17)10(7-15(8,11)3)9(2)14(18)19/h6-9,12,16H,4-5H2,1-3H3,(H,18,19) |
InChI Key | KKBMTZGYLVWKNU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C15H20O4 |
Molecular Weight | 264.32 g/mol |
Exact Mass | 264.13615911 g/mol |
Topological Polar Surface Area (TPSA) | 74.60 Ų |
XlogP | 1.50 |
There are no found synonyms. |
![2D Structure of 2-(5-Hydroxy-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid 2D Structure of 2-(5-Hydroxy-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-5-hydroxy-88a-dimethyl-3-oxo-5678-tetrahydronaphthalen-2-ylpropanoic-acid.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 95.90% | 98.95% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.62% | 90.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.13% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.23% | 83.82% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.12% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.32% | 91.11% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.25% | 96.77% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.47% | 99.23% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.37% | 91.19% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.60% | 90.71% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.41% | 93.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.19% | 89.00% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.24% | 93.03% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.10% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.94% | 97.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Ligularia veitchiana |
Ligularia virgaurea |
PubChem | 162988736 |
LOTUS | LTS0146769 |
wikiData | Q105142098 |