(E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid
| Internal ID | e58dee06-f529-46d9-9544-b95a6563db40 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid |
| SMILES (Canonical) | CC1=CC(=O)C2C(CCCC2(C1CCC(=CC(=O)O)CO)C)(C)C |
| SMILES (Isomeric) | CC1=CC(=O)[C@H]2[C@]([C@@H]1CC/C(=C\C(=O)O)/CO)(CCCC2(C)C)C |
| InChI | InChI=1S/C20H30O4/c1-13-10-16(22)18-19(2,3)8-5-9-20(18,4)15(13)7-6-14(12-21)11-17(23)24/h10-11,15,18,21H,5-9,12H2,1-4H3,(H,23,24)/b14-11+/t15-,18-,20+/m1/s1 |
| InChI Key | FWUFBPLJMYHOEW-WDHAFYFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/71a814b0-8674-11ee-8c87-eb1289c211d5.jpg "2D Structure of (E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.85% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.78% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.78% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.70% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.56% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.77% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.47% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.16% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.67% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.38% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.57% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.40% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.05% | 93.03% |
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.
| Acritopappus confertus |
| PubChem | 26116221 |
| LOTUS | LTS0131943 |
| wikiData | Q105003583 |