(1R,4R,7S,10Z,14R,16S)-4-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,15-dioxatricyclo[12.2.1.04,16]heptadec-10-ene-3,9,12-trione
| Internal ID | 0e72c617-8f3a-4371-9b2e-4eb8b9c62f58 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1R,4R,7S,10Z,14R,16S)-4-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,15-dioxatricyclo[12.2.1.04,16]heptadec-10-ene-3,9,12-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O6/c1-11(2)13-5-6-20(24)17-16(25-18(20)23)10-19(4,26-17)9-14(21)7-12(3)15(22)8-13/h7,13,16-17,24H,1,5-6,8-10H2,2-4H3/b12-7-/t13-,16+,17-,19-,20+/m0/s1 |
| InChI Key | FPMOPBCTUVNARK-QKCUPRFZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1R,4R,7S,10Z,14R,16S)-4-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,15-dioxatricyclo[12.2.1.04,16]heptadec-10-ene-3,9,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/4f46dd30-85f2-11ee-a063-5b5dbe3ad534.jpg "2D Structure of (1R,4R,7S,10Z,14R,16S)-4-hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-2,15-dioxatricyclo[12.2.1.04,16]heptadec-10-ene-3,9,12-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.04% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.09% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.37% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.49% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.03% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.54% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.31% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.23% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.95% | 93.04% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.76% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.72% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.38% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.42% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.56% | 97.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.38% | 97.28% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.34% | 91.19% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.34% | 97.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.32% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.02% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 14446277 |
| LOTUS | LTS0085310 |
| wikiData | Q104999268 |