[(1S,3E,7E,9S,10S)-9-hydroxy-10-[(2S)-1-hydroxypropan-2-yl]-3,7-dimethylcyclodeca-3,7-dien-1-yl] (Z)-2-methylbut-2-enoate
| Internal ID | cb998189-6831-460d-8ae4-9548e9598eef |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | [(1S,3E,7E,9S,10S)-9-hydroxy-10-[(2S)-1-hydroxypropan-2-yl]-3,7-dimethylcyclodeca-3,7-dien-1-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC(=CCCC(=CC(C1C(C)CO)O)C)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@@H]([C@@H]1[C@H](C)CO)O)/C)/C |
| InChI | InChI=1S/C20H32O4/c1-6-15(4)20(23)24-18-11-14(3)9-7-8-13(2)10-17(22)19(18)16(5)12-21/h6,9-10,16-19,21-22H,7-8,11-12H2,1-5H3/b13-10+,14-9+,15-6-/t16-,17+,18+,19+/m1/s1 |
| InChI Key | ZZBPVABDPAAVGR-KTTIMTSMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [(1S,3E,7E,9S,10S)-9-hydroxy-10-[(2S)-1-hydroxypropan-2-yl]-3,7-dimethylcyclodeca-3,7-dien-1-yl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/bc7b3e40-8624-11ee-abbf-e326fdf3e792.jpg "2D Structure of [(1S,3E,7E,9S,10S)-9-hydroxy-10-[(2S)-1-hydroxypropan-2-yl]-3,7-dimethylcyclodeca-3,7-dien-1-yl] (Z)-2-methylbut-2-enoate")
| 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 | 97.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.22% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.85% | 97.25% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.60% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.48% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.34% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.87% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.86% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.84% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.60% | 89.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.94% | 97.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.86% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.02% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.21% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.71% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.59% | 93.56% |
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.
| Thapsia villosa |
| PubChem | 162998051 |
| LOTUS | LTS0189729 |
| wikiData | Q105386656 |