[(1R,2E,6S,7R,8R)-7,8-dihydroxy-3-methyl-9-methylidene-6-propan-2-ylcyclodec-2-en-1-yl] acetate
| Internal ID | 46d8a6d7-6c65-48ab-a4f7-b73ad4ad00e4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | [(1R,2E,6S,7R,8R)-7,8-dihydroxy-3-methyl-9-methylidene-6-propan-2-ylcyclodec-2-en-1-yl] acetate |
| SMILES (Canonical) | CC1=CC(CC(=C)C(C(C(CC1)C(C)C)O)O)OC(=O)C |
| SMILES (Isomeric) | C/C/1=C\[C@@H](CC(=C)[C@H]([C@@H]([C@@H](CC1)C(C)C)O)O)OC(=O)C |
| InChI | InChI=1S/C17H28O4/c1-10(2)15-7-6-11(3)8-14(21-13(5)18)9-12(4)16(19)17(15)20/h8,10,14-17,19-20H,4,6-7,9H2,1-3,5H3/b11-8+/t14-,15-,16+,17+/m0/s1 |
| InChI Key | SNKIOBXXYUFHJB-ISFSCYEMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H28O4 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [(1R,2E,6S,7R,8R)-7,8-dihydroxy-3-methyl-9-methylidene-6-propan-2-ylcyclodec-2-en-1-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2e6s7r8r-78-dihydroxy-3-methyl-9-methylidene-6-propan-2-ylcyclodec-2-en-1-yl-acetate.jpg "2D Structure of [(1R,2E,6S,7R,8R)-7,8-dihydroxy-3-methyl-9-methylidene-6-propan-2-ylcyclodec-2-en-1-yl] 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 | 95.83% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.18% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.38% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.14% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.66% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.71% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.33% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.09% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.04% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.41% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.38% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.40% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.39% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.13% | 96.47% |
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.
| Santolina chamaecyparissus |
| Santolina insularis |
| PubChem | 11323939 |
| LOTUS | LTS0260648 |
| wikiData | Q105256527 |