(1R,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carboxylic acid
| Internal ID | e862a759-a5f0-445f-9173-827d115eff2e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acids |
| IUPAC Name | (1R,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carboxylic acid |
| SMILES (Canonical) | CC(C)C1CCC(=C)C12CCC(=CC2)C(=O)O |
| SMILES (Isomeric) | CC(C)[C@H]1CCC(=C)[C@@]12CCC(=CC2)C(=O)O |
| InChI | InChI=1S/C15H22O2/c1-10(2)13-5-4-11(3)15(13)8-6-12(7-9-15)14(16)17/h6,10,13H,3-5,7-9H2,1-2H3,(H,16,17)/t13-,15-/m1/s1 |
| InChI Key | ZJXJQRXAMSBPTJ-UKRRQHHQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (1R,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/1r5r-4-methylidene-1-propan-2-ylspiro45dec-8-ene-8-carboxylic-acid.jpg "2D Structure of (1R,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.72% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.80% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.52% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.33% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.32% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.22% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.49% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.17% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.83% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.34% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.41% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.02% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.90% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.87% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.06% | 95.89% |
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.
| Schisandra sphenanthera |
| PubChem | 162867377 |
| LOTUS | LTS0197510 |
| wikiData | Q105378245 |