[(1S,5Z,7R,10S)-7-hydroxy-6-(hydroxymethyl)-10-methyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate
| Internal ID | b99f61fc-e3fb-459b-8c73-2eae160749f7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1S,5Z,7R,10S)-7-hydroxy-6-(hydroxymethyl)-10-methyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(CC2C1CC(C(=CCCC2=C)CO)O)C |
| SMILES (Isomeric) | CC(=O)OC[C@]1(C[C@H]2C1C[C@H](/C(=C\CCC2=C)/CO)O)C |
| InChI | InChI=1S/C17H26O4/c1-11-5-4-6-13(9-18)16(20)7-15-14(11)8-17(15,3)10-21-12(2)19/h6,14-16,18,20H,1,4-5,7-10H2,2-3H3/b13-6-/t14-,15?,16-,17-/m1/s1 |
| InChI Key | PKCXBKBMBZLMJG-JLXWBXQLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O4 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [(1S,5Z,7R,10S)-7-hydroxy-6-(hydroxymethyl)-10-methyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3b8f46c0-81d9-11ee-8575-f934d283128c.jpg "2D Structure of [(1S,5Z,7R,10S)-7-hydroxy-6-(hydroxymethyl)-10-methyl-2-methylidene-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate")
| 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 | 97.93% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.27% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.20% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.20% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.24% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.52% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.68% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.82% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.19% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.50% | 91.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.34% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.46% | 94.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.36% | 94.62% |
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.
| Pulicaria arabica |
| PubChem | 163042627 |
| LOTUS | LTS0089889 |
| wikiData | Q105210326 |